5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide

C19H19N3O2 — CID 95618402

IUPAC5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H19N3O2/c23-18(15-8-5-12-3-1-2-4-14(12)9-15)11-20-19(24)17-10-16(21-22-17)13-6-7-13/h1-5,8-10,13,18,23H,6-7,11H2,(H,20,24)(H,21,22)/t18-/m1/s1
InChIKeySSDKRQNXSRILCF-GOSISDBHSA-N
MW321.38 g/mol
LogP2.90
Rot. Bonds5

About 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 95618402) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide
PubChem CID95618402
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H19N3O2/c23-18(15-8-5-12-3-1-2-4-14(12)9-15)11-20-19(24)17-10-16(21-22-17)13-6-7-13/h1-5,8-10,13,18,23H,6-7,11H2,(H,20,24)(H,21,22)/t18-/m1/s1
InChIKeySSDKRQNXSRILCF-GOSISDBHSA-N
XLogP2.90
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide (CID 95618402) is 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide is O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SSDKRQNXSRILCF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(15-8-5-12-3-1-2-4-14(12)9-15)11-20-19(24)17-10-16(21-22-17)13-6-7-13/h1-5,8-10,13,18,23H,6-7,11H2,(H,20,24)(H,21,22)/t18-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95618402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).