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

C12H20N4O — CID 113288616

IUPAC(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1cnn(C)c1N
InChIInChI=1S/C12H20N4O/c1-8(2)10-5-4-6-16(10)12(17)9-7-14-15(3)11(9)13/h7-8,10H,4-6,13H2,1-3H3
InChIKeyCRNXKKFAZBCISR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.26
Rot. Bonds2

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

(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 113288616) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID113288616
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1cnn(C)c1N
InChIInChI=1S/C12H20N4O/c1-8(2)10-5-4-6-16(10)12(17)9-7-14-15(3)11(9)13/h7-8,10H,4-6,13H2,1-3H3
InChIKeyCRNXKKFAZBCISR-UHFFFAOYSA-N
XLogP1.26
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
CID 115330917
1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 113288544
(5-amino-1-methylpyrazol-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114087644
(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 81443348
(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone
CID 166202740
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 129369364
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 105386742
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 52529673
(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79547117
(5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 104599391
4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one
CID 115330862

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (CID 113288616) is (5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCCN1C(=O)c1cnn(C)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is CRNXKKFAZBCISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)10-5-4-6-16(10)12(17)9-7-14-15(3)11(9)13/h7-8,10H,4-6,13H2,1-3H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 1.26, 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)-(2-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113288616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).