N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide

C13H22N4O — CID 74237079

IUPACN-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NC1CCC(N)CC1
InChIInChI=1S/C13H22N4O/c1-17-12(8-9-15-17)6-7-13(18)16-11-4-2-10(14)3-5-11/h8-11H,2-7,14H2,1H3,(H,16,18)
InChIKeyKYZQOXHJDCRDEU-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.74
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide

N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 74237079) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID74237079
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NC1CCC(N)CC1
InChIInChI=1S/C13H22N4O/c1-17-12(8-9-15-17)6-7-13(18)16-11-4-2-10(14)3-5-11/h8-11H,2-7,14H2,1H3,(H,16,18)
InChIKeyKYZQOXHJDCRDEU-UHFFFAOYSA-N
XLogP0.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide (CID 74237079) is N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1CCC(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is KYZQOXHJDCRDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-12(8-9-15-17)6-7-13(18)16-11-4-2-10(14)3-5-11/h8-11H,2-7,14H2,1H3,(H,16,18).
What are the key properties of N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide?
N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 74237079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).