N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride

C19H30ClN5 — CID 120844953

IUPACN-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
SMILESCC(C)n1nccc1CN(Cc1ccccn1)C1CCCNCC1.Cl
InChIInChI=1S/C19H29N5.ClH/c1-16(2)24-19(9-13-22-24)15-23(14-17-6-3-4-11-21-17)18-7-5-10-20-12-8-18;/h3-4,6,9,11,13,16,18,20H,5,7-8,10,12,14-15H2,1-2H3;1H
InChIKeyCDTWGTFFSCWLTB-UHFFFAOYSA-N
MW363.94 g/mol
LogP3.43
Rot. Bonds6

About N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride

N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride (PubChem CID 120844953) has the molecular formula C19H30ClN5 and a molecular weight of 363.94 g/mol. Its IUPAC name is N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
PubChem CID120844953
Molecular FormulaC19H30ClN5
Molecular Weight363.94 g/mol
Exact Mass363.22
IUPAC NameN-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
SMILESCC(C)n1nccc1CN(Cc1ccccn1)C1CCCNCC1.Cl
InChIInChI=1S/C19H29N5.ClH/c1-16(2)24-19(9-13-22-24)15-23(14-17-6-3-4-11-21-17)18-7-5-10-20-12-8-18;/h3-4,6,9,11,13,16,18,20H,5,7-8,10,12,14-15H2,1-2H3;1H
InChIKeyCDTWGTFFSCWLTB-UHFFFAOYSA-N
XLogP3.43
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.94
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 120844902
N-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 120844899
(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129332327
(4R)-N-(1,2-oxazol-3-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129323625
N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 129004801
2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride
CID 129002660
N-(3-propan-2-yloxypropyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 128967835
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
N-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]azepan-4-amine;hydrochloride
CID 120844959
(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129475727
2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
CID 120869661
N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
CID 129005585

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride?
The IUPAC name of N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride (CID 120844953) is N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride.
What is the SMILES notation for N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride?
The canonical SMILES for N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride is CC(C)n1nccc1CN(Cc1ccccn1)C1CCCNCC1.Cl.
What is the InChIKey of N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride?
The InChIKey is CDTWGTFFSCWLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5.ClH/c1-16(2)24-19(9-13-22-24)15-23(14-17-6-3-4-11-21-17)18-7-5-10-20-12-8-18;/h3-4,6,9,11,13,16,18,20H,5,7-8,10,12,14-15H2,1-2H3;1H.
What are the key properties of N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride?
N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride has a molecular weight of 363.94 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride is sourced from PubChem (CID 120844953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).