N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine

C22H25N5 — CID 129268821

IUPACN-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine
SMILESC/N=C/c1cnn(-c2cccc(-c3cccc4c3C(NC)CC4)c2)c1NC
InChIInChI=1S/C22H25N5/c1-23-13-17-14-26-27(22(17)25-3)18-8-4-7-16(12-18)19-9-5-6-15-10-11-20(24-2)21(15)19/h4-9,12-14,20,24-25H,10-11H2,1-3H3/b23-13+
InChIKeyCXPCICPESVABCV-YDZHTSKRSA-N
MW359.48 g/mol
LogP3.84
Rot. Bonds5

About N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine

N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine (PubChem CID 129268821) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine
PubChem CID129268821
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine
SMILESC/N=C/c1cnn(-c2cccc(-c3cccc4c3C(NC)CC4)c2)c1NC
InChIInChI=1S/C22H25N5/c1-23-13-17-14-26-27(22(17)25-3)18-8-4-7-16(12-18)19-9-5-6-15-10-11-20(24-2)21(15)19/h4-9,12-14,20,24-25H,10-11H2,1-3H3/b23-13+
InChIKeyCXPCICPESVABCV-YDZHTSKRSA-N
XLogP3.84
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 118627950
(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol
CID 129390412
ethyl 1-[3-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 130211482
ethyl 1-[3-[3-[3-ethyl-4-[1-(2-hydroxypropanoyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methoxypyrazole-4-carboxylate
CID 137370358
1-[3-[(3R)-3-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methoxypyrazole-4-carboxylic acid
CID 129246884
1-[3-[(3S)-3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methoxypyrazole-4-carboxylic acid
CID 129246878
4-[4-[[(1R)-7-[3-(5-amino-4-ethoxycarbonylpyrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]methyl]-2-ethylphenyl]piperidine-1-carboxylic acid
CID 129246859
4-chloro-1-(3-fluorophenyl)-N-methylpyrazol-5-amine
CID 83892345
3-[3-(5-cyclopropyl-4-methoxycarbonylpyrazol-1-yl)phenyl]-2-fluorobenzoic acid
CID 126754407
13,13-dimethyl-15-phenyl-15,16-diazapentacyclo[10.8.1.02,7.08,21.014,18]henicosa-2,4,6,8(21),9,11,14(18),16-octaene
CID 123358447
ethyl 1-[3-[(3S)-3-[3-ethyl-4-[1-(2-hydroxypropanoyl)piperidin-4-yl]phenoxy]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methoxypyrazole-4-carboxylate
CID 137370667
ethyl 1-[3-[(3S)-3-[3-ethyl-4-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]phenoxy]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methoxypyrazole-4-carboxylate
CID 129246869

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine?
The IUPAC name of N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine (CID 129268821) is N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine?
The canonical SMILES for N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine is C/N=C/c1cnn(-c2cccc(-c3cccc4c3C(NC)CC4)c2)c1NC.
What is the InChIKey of N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine?
The InChIKey is CXPCICPESVABCV-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H25N5/c1-23-13-17-14-26-27(22(17)25-3)18-8-4-7-16(12-18)19-9-5-6-15-10-11-20(24-2)21(15)19/h4-9,12-14,20,24-25H,10-11H2,1-3H3/b23-13+.
What are the key properties of N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine?
N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine has a molecular weight of 359.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[3-(methylamino)-2,3-dihydro-1H-inden-4-yl]phenyl]-4-(methyliminomethyl)pyrazol-5-amine is sourced from PubChem (CID 129268821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).