(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C9H14N4O2 — CID 107209806

IUPAC(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCn1cc(N)c(C(=O)N2CC[C@@H](O)C2)n1
InChIInChI=1S/C9H14N4O2/c1-12-5-7(10)8(11-12)9(15)13-3-2-6(14)4-13/h5-6,14H,2-4,10H2,1H3/t6-/m1/s1
InChIKeyIHMUQLLBWNTVFX-ZCFIWIBFSA-N
MW210.24 g/mol
LogP-0.79
Rot. Bonds1

About (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 107209806) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID107209806
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCn1cc(N)c(C(=O)N2CC[C@@H](O)C2)n1
InChIInChI=1S/C9H14N4O2/c1-12-5-7(10)8(11-12)9(15)13-3-2-6(14)4-13/h5-6,14H,2-4,10H2,1H3/t6-/m1/s1
InChIKeyIHMUQLLBWNTVFX-ZCFIWIBFSA-N
XLogP-0.79
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107211043
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702
(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)-(azocan-1-yl)methanone
CID 65354711
1-(4-amino-1-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 65355326
methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 65354248
(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 65353954
(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 65355642
(4-amino-1-methylpyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 65354771
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 65359274
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 111561271

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 107209806) is (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cn1cc(N)c(C(=O)N2CC[C@@H](O)C2)n1.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is IHMUQLLBWNTVFX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-5-7(10)8(11-12)9(15)13-3-2-6(14)4-13/h5-6,14H,2-4,10H2,1H3/t6-/m1/s1.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 210.24 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 107209806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).