1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C16H17FN4O — CID 164769820

IUPAC1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1F)c1nn(CC2CC2)c2c1CCC2
InChIInChI=1S/C16H17FN4O/c17-12-8-18-7-6-13(12)19-16(22)15-11-2-1-3-14(11)21(20-15)9-10-4-5-10/h6-8,10H,1-5,9H2,(H,18,19,22)
InChIKeyVLSKDWLWXRDNCW-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.57
Rot. Bonds4

About 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 164769820) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID164769820
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1F)c1nn(CC2CC2)c2c1CCC2
InChIInChI=1S/C16H17FN4O/c17-12-8-18-7-6-13(12)19-16(22)15-11-2-1-3-14(11)21(20-15)9-10-4-5-10/h6-8,10H,1-5,9H2,(H,18,19,22)
InChIKeyVLSKDWLWXRDNCW-UHFFFAOYSA-N
XLogP2.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 164769820) is 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(Nc1ccncc1F)c1nn(CC2CC2)c2c1CCC2.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is VLSKDWLWXRDNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-12-8-18-7-6-13(12)19-16(22)15-11-2-1-3-14(11)21(20-15)9-10-4-5-10/h6-8,10H,1-5,9H2,(H,18,19,22).
What are the key properties of 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(3-fluoro-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 164769820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).