(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

C9H14N4O — CID 62083322

IUPAC(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1[nH]nc(C(=O)N2CCCC2)c1N
InChIInChI=1S/C9H14N4O/c1-6-7(10)8(12-11-6)9(14)13-4-2-3-5-13/h2-5,10H2,1H3,(H,11,12)
InChIKeyODYIXSYHRXBDRU-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.54
Rot. Bonds1

About (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 62083322) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID62083322
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1[nH]nc(C(=O)N2CCCC2)c1N
InChIInChI=1S/C9H14N4O/c1-6-7(10)8(12-11-6)9(14)13-4-2-3-5-13/h2-5,10H2,1H3,(H,11,12)
InChIKeyODYIXSYHRXBDRU-UHFFFAOYSA-N
XLogP0.54
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (CID 62083322) is (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is Cc1[nH]nc(C(=O)N2CCCC2)c1N.
What is the InChIKey of (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is ODYIXSYHRXBDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-7(10)8(12-11-6)9(14)13-4-2-3-5-13/h2-5,10H2,1H3,(H,11,12).
What are the key properties of (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 194.24 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 62083322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).