(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone

C13H22N4O — CID 146680677

IUPAC(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cnn(C(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-9(2)17-12(14)11(8-15-17)13(18)16-7-5-4-6-10(16)3/h8-10H,4-7,14H2,1-3H3
InChIKeyVDAGYUISCWKFEJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.06
Rot. Bonds2

About (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone

(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 146680677) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID146680677
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cnn(C(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-9(2)17-12(14)11(8-15-17)13(18)16-7-5-4-6-10(16)3/h8-10H,4-7,14H2,1-3H3
InChIKeyVDAGYUISCWKFEJ-UHFFFAOYSA-N
XLogP2.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid
CID 19623821
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide
CID 130443193
(5-amino-1-methylpyrazol-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114087644
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone
CID 119054332
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51291906
5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide
CID 117213743
(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113288616
6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122112768
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone (CID 146680677) is (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cnn(C(C)C)c1N.
What is the InChIKey of (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is VDAGYUISCWKFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)17-12(14)11(8-15-17)13(18)16-7-5-4-6-10(16)3/h8-10H,4-7,14H2,1-3H3.
What are the key properties of (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone?
(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 146680677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).