N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine

C18H29N7 — CID 71928273

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(CCc2cnn(C)c2)C1
InChIInChI=1S/C18H29N7/c1-22(13-17-20-21-18(24(17)3)15-4-5-15)16-7-9-25(12-16)8-6-14-10-19-23(2)11-14/h10-11,15-16H,4-9,12-13H2,1-3H3
InChIKeyBNENOHNPSVYUPB-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.17
Rot. Bonds7

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (PubChem CID 71928273) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
PubChem CID71928273
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(CCc2cnn(C)c2)C1
InChIInChI=1S/C18H29N7/c1-22(13-17-20-21-18(24(17)3)15-4-5-15)16-7-9-25(12-16)8-6-14-10-19-23(2)11-14/h10-11,15-16H,4-9,12-13H2,1-3H3
InChIKeyBNENOHNPSVYUPB-UHFFFAOYSA-N
XLogP1.17
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 53597785
3-Cyclopropyl-4-methyl-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 53627292
1-(4-ethyl-5-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70712075
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
CID 71928254
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
CID 75373782
1-[(1-Ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 53192571
3-isobutyl-1-isopropyl-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole
CID 72837732
1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 95337559
1-tert-butyl-3-(cyclopropylmethyl)-5-[(1S)-1-(4-methylpyrazol-1-yl)ethyl]-1,2,4-triazole
CID 97446035
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-(3-methyl-4H-1,2,4-triazol-4-yl)ethanamine
CID 129613630
N-methyl-1-(3-methyl-1-propyl-1H-pyrazol-4-yl)-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 131941408
1-[2-(1-Ethylpyrazol-4-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 132375428

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (CID 71928273) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is CN(Cc1nnc(C2CC2)n1C)C1CCN(CCc2cnn(C)c2)C1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is BNENOHNPSVYUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-22(13-17-20-21-18(24(17)3)15-4-5-15)16-7-9-25(12-16)8-6-14-10-19-23(2)11-14/h10-11,15-16H,4-9,12-13H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 343.48 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).