(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone

C13H22N4O — CID 62076034

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2n[nH]c(C(C)C)c2N)C1
InChIInChI=1S/C13H22N4O/c1-8(2)11-10(14)12(16-15-11)13(18)17-6-4-5-9(3)7-17/h8-9H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyGRZJQPLPWYAIKS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.99
Rot. Bonds2

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 62076034) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID62076034
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2n[nH]c(C(C)C)c2N)C1
InChIInChI=1S/C13H22N4O/c1-8(2)11-10(14)12(16-15-11)13(18)17-6-4-5-9(3)7-17/h8-9H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyGRZJQPLPWYAIKS-UHFFFAOYSA-N
XLogP1.99
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 62076805
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209805
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623797
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62075422
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62075873
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62075582
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603103
[3-(1-aminoethyl)piperidin-1-yl]-(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119595333
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82012290
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-1-methylpiperazin-2-one
CID 64682975

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone (CID 62076034) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2n[nH]c(C(C)C)c2N)C1.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is GRZJQPLPWYAIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)11-10(14)12(16-15-11)13(18)17-6-4-5-9(3)7-17/h8-9H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62076034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).