(3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone

C9H13N3O — CID 61226238

IUPAC(3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C9H13N3O/c1-7-2-3-12(6-7)9(13)8-4-10-11-5-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyMIWQWPMFSPPXBV-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.89
Rot. Bonds1

About (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone

(3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 61226238) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID61226238
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C9H13N3O/c1-7-2-3-12(6-7)9(13)8-4-10-11-5-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyMIWQWPMFSPPXBV-UHFFFAOYSA-N
XLogP0.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 61226238) is (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone is CC1CCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is MIWQWPMFSPPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-2-3-12(6-7)9(13)8-4-10-11-5-8/h4-5,7H,2-3,6H2,1H3,(H,10,11).
What are the key properties of (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
(3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 61226238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).