N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide

C19H22FN3O2 — CID 73212665

IUPACN-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C2CC2)[nH]n1)N(Cc1ccc(O)cc1F)CC1CCC1
InChIInChI=1S/C19H22FN3O2/c20-16-8-15(24)7-6-14(16)11-23(10-12-2-1-3-12)19(25)18-9-17(21-22-18)13-4-5-13/h6-9,12-13,24H,1-5,10-11H2,(H,21,22)
InChIKeyRXJWEHCDANSLAH-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.57
Rot. Bonds6

About N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide

N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 73212665) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID73212665
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C2CC2)[nH]n1)N(Cc1ccc(O)cc1F)CC1CCC1
InChIInChI=1S/C19H22FN3O2/c20-16-8-15(24)7-6-14(16)11-23(10-12-2-1-3-12)19(25)18-9-17(21-22-18)13-4-5-13/h6-9,12-13,24H,1-5,10-11H2,(H,21,22)
InChIKeyRXJWEHCDANSLAH-UHFFFAOYSA-N
XLogP3.57
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 73212665) is N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide is O=C(c1cc(C2CC2)[nH]n1)N(Cc1ccc(O)cc1F)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RXJWEHCDANSLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-8-15(24)7-6-14(16)11-23(10-12-2-1-3-12)19(25)18-9-17(21-22-18)13-4-5-13/h6-9,12-13,24H,1-5,10-11H2,(H,21,22).
What are the key properties of N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 73212665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).