N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine

C12H22N4 — CID 65070307

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine
SMILESCc1n[nH]c(C)c1NC1CCCN(C)CC1
InChIInChI=1S/C12H22N4/c1-9-12(10(2)15-14-9)13-11-5-4-7-16(3)8-6-11/h11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyUHVMPCMOEFMVHT-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.92
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine

N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine (PubChem CID 65070307) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine
PubChem CID65070307
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine
SMILESCc1n[nH]c(C)c1NC1CCCN(C)CC1
InChIInChI=1S/C12H22N4/c1-9-12(10(2)15-14-9)13-11-5-4-7-16(3)8-6-11/h11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyUHVMPCMOEFMVHT-UHFFFAOYSA-N
XLogP1.92
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine
CID 65070393
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 83484509
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547628
N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine
CID 79957725
4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 83696328
N,1-dimethylazepan-4-amine;molecular hydrogen
CID 156821685
N-(2-bromo-6-fluorophenyl)-1-methylazepan-4-amine
CID 107598238
3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine
CID 65044159
N-(2-bicyclo[3.1.0]hexanyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 130525381
N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 79956145
5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine
CID 65070161

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine (CID 65070307) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine is Cc1n[nH]c(C)c1NC1CCCN(C)CC1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine?
The InChIKey is UHVMPCMOEFMVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-12(10(2)15-14-9)13-11-5-4-7-16(3)8-6-11/h11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine is sourced from PubChem (CID 65070307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).