N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride

C21H26ClN5O2 — CID 167956831

IUPACN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
SMILESCOc1cccc(-c2[nH]ncc2CNCc2cccnc2N2CCOCC2)c1.Cl
InChIInChI=1S/C21H25N5O2.ClH/c1-27-19-6-2-4-16(12-19)20-18(15-24-25-20)14-22-13-17-5-3-7-23-21(17)26-8-10-28-11-9-26;/h2-7,12,15,22H,8-11,13-14H2,1H3,(H,24,25);1H
InChIKeyNHJNHKHEZVJGGY-UHFFFAOYSA-N
MW415.93 g/mol
LogP3.03
Rot. Bonds7

About N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride

N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride (PubChem CID 167956831) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
PubChem CID167956831
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC NameN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
SMILESCOc1cccc(-c2[nH]ncc2CNCc2cccnc2N2CCOCC2)c1.Cl
InChIInChI=1S/C21H25N5O2.ClH/c1-27-19-6-2-4-16(12-19)20-18(15-24-25-20)14-22-13-17-5-3-7-23-21(17)26-8-10-28-11-9-26;/h2-7,12,15,22H,8-11,13-14H2,1H3,(H,24,25);1H
InChIKeyNHJNHKHEZVJGGY-UHFFFAOYSA-N
XLogP3.03
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051072
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride
CID 47030657
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051144
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 52910245
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 37489976
(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95145763
1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79484904

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride (CID 167956831) is N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride is COc1cccc(-c2[nH]ncc2CNCc2cccnc2N2CCOCC2)c1.Cl.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride?
The InChIKey is NHJNHKHEZVJGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.ClH/c1-27-19-6-2-4-16(12-19)20-18(15-24-25-20)14-22-13-17-5-3-7-23-21(17)26-8-10-28-11-9-26;/h2-7,12,15,22H,8-11,13-14H2,1H3,(H,24,25);1H.
What are the key properties of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride?
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride has a molecular weight of 415.93 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 167956831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).