N-(1H-pyrazol-4-ylmethyl)azepan-4-amine

C10H18N4 — CID 103981696

IUPACN-(1H-pyrazol-4-ylmethyl)azepan-4-amine
SMILESc1n[nH]cc1CNC1CCCNCC1
InChIInChI=1S/C10H18N4/c1-2-10(3-5-11-4-1)12-6-9-7-13-14-8-9/h7-8,10-12H,1-6H2,(H,13,14)
InChIKeyADRHOCQZWSHJOR-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.64
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)azepan-4-amine

N-(1H-pyrazol-4-ylmethyl)azepan-4-amine (PubChem CID 103981696) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)azepan-4-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)azepan-4-amine
PubChem CID103981696
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-(1H-pyrazol-4-ylmethyl)azepan-4-amine
SMILESc1n[nH]cc1CNC1CCCNCC1
InChIInChI=1S/C10H18N4/c1-2-10(3-5-11-4-1)12-6-9-7-13-14-8-9/h7-8,10-12H,1-6H2,(H,13,14)
InChIKeyADRHOCQZWSHJOR-UHFFFAOYSA-N
XLogP0.64
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082
1-ethyl-N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 65073278
1,1-dioxo-N-(1H-pyrazol-4-ylmethyl)thian-3-amine
CID 63924406
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 61000741
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
CID 130992265
3-(1H-pyrazol-4-ylmethoxy)piperidine
CID 130569410
N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide
CID 61000515
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
CID 106369501
N-[(3-bromophenyl)methyl]azepan-4-amine
CID 103981810
4-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 83479564

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)azepan-4-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)azepan-4-amine (CID 103981696) is N-(1H-pyrazol-4-ylmethyl)azepan-4-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)azepan-4-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)azepan-4-amine is c1n[nH]cc1CNC1CCCNCC1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)azepan-4-amine?
The InChIKey is ADRHOCQZWSHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-10(3-5-11-4-1)12-6-9-7-13-14-8-9/h7-8,10-12H,1-6H2,(H,13,14).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)azepan-4-amine?
N-(1H-pyrazol-4-ylmethyl)azepan-4-amine has a molecular weight of 194.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)azepan-4-amine is sourced from PubChem (CID 103981696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).