1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine

C13H24N4 — CID 65073774

IUPAC1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine
SMILESCC(C)N1CCCC(NCc2ccn[nH]2)CC1
InChIInChI=1S/C13H24N4/c1-11(2)17-8-3-4-12(6-9-17)14-10-13-5-7-15-16-13/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3,(H,15,16)
InChIKeyBCSKCAXDKVISDU-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.76
Rot. Bonds4

About 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine

1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine (PubChem CID 65073774) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine
PubChem CID65073774
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine
SMILESCC(C)N1CCCC(NCc2ccn[nH]2)CC1
InChIInChI=1S/C13H24N4/c1-11(2)17-8-3-4-12(6-9-17)14-10-13-5-7-15-16-13/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3,(H,15,16)
InChIKeyBCSKCAXDKVISDU-UHFFFAOYSA-N
XLogP1.76
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073424
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073726
9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471806
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
1-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)azepan-4-amine
CID 65073250
4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol
CID 43662327
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733
4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284882
N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
CID 65073415
tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 61285481
N-[(4-nitrophenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073362
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 106391885

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine?
The IUPAC name of 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine (CID 65073774) is 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine is CC(C)N1CCCC(NCc2ccn[nH]2)CC1.
What is the InChIKey of 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine?
The InChIKey is BCSKCAXDKVISDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)17-8-3-4-12(6-9-17)14-10-13-5-7-15-16-13/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3,(H,15,16).
What are the key properties of 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine?
1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine is sourced from PubChem (CID 65073774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).