(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

C9H14N4O3 — CID 107211043

IUPAC(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESCn1cc(N)c(C(=O)N2C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C9H14N4O3/c1-12-2-5(10)8(11-12)9(16)13-3-6(14)7(15)4-13/h2,6-7,14-15H,3-4,10H2,1H3/t6-,7+
InChIKeyAULYWYJAVQDOBY-KNVOCYPGSA-N
MW226.24 g/mol
LogP-1.82
Rot. Bonds1

About (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (PubChem CID 107211043) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
PubChem CID107211043
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESCn1cc(N)c(C(=O)N2C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C9H14N4O3/c1-12-2-5(10)8(11-12)9(16)13-3-6(14)7(15)4-13/h2,6-7,14-15H,3-4,10H2,1H3/t6-,7+
InChIKeyAULYWYJAVQDOBY-KNVOCYPGSA-N
XLogP-1.82
TPSA104.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702
(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 65355642
(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209806
(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 65353954
(4-amino-1-methylpyrazol-3-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65354317
(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 65354873
(4-amino-1-methylpyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 65354771
methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 65354248
1-(4-amino-1-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 65355326
(4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 65355444
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone
CID 65355991

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (CID 107211043) is (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is Cn1cc(N)c(C(=O)N2C[C@@H](O)[C@@H](O)C2)n1.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The InChIKey is AULYWYJAVQDOBY-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-12-2-5(10)8(11-12)9(16)13-3-6(14)7(15)4-13/h2,6-7,14-15H,3-4,10H2,1H3/t6-,7+.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone has a molecular weight of 226.24 g/mol, XLogP of -1.82, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 107211043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).