(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone

C14H24N4O — CID 115330917

IUPAC(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C14H24N4O/c1-10(2)11-5-4-7-18(8-6-11)14(19)12-9-16-17(3)13(12)15/h9-11H,4-8,15H2,1-3H3
InChIKeyNHDOAEKBGGWRLS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.90
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone

(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone (PubChem CID 115330917) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
PubChem CID115330917
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C14H24N4O/c1-10(2)11-5-4-7-18(8-6-11)14(19)12-9-16-17(3)13(12)15/h9-11H,4-8,15H2,1-3H3
InChIKeyNHDOAEKBGGWRLS-UHFFFAOYSA-N
XLogP1.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113288616
(5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 104599391
(4-aminophenyl)-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787850
3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81042606
(4-bromo-1H-pyrazol-5-yl)-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 97317085
(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 110451998
(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 104600720
(5-amino-2-methyl-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504927
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 113288544
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 124591955

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone (CID 115330917) is (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone is CC(C)C1CCCN(C(=O)c2cnn(C)c2N)CC1.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone?
The InChIKey is NHDOAEKBGGWRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)11-5-4-7-18(8-6-11)14(19)12-9-16-17(3)13(12)15/h9-11H,4-8,15H2,1-3H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone is sourced from PubChem (CID 115330917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).