N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide

C21H17N3O2 — CID 172723177

IUPACN-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(C(O)c2ccc3ccccc3c2)c1)c1ccn[nH]1
InChIInChI=1S/C21H17N3O2/c25-20(17-9-8-14-4-1-2-5-15(14)12-17)16-6-3-7-18(13-16)23-21(26)19-10-11-22-24-19/h1-13,20,25H,(H,22,24)(H,23,26)
InChIKeyGUGIGQAYKPBASV-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.90
Rot. Bonds4

About N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide

N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 172723177) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID172723177
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(C(O)c2ccc3ccccc3c2)c1)c1ccn[nH]1
InChIInChI=1S/C21H17N3O2/c25-20(17-9-8-14-4-1-2-5-15(14)12-17)16-6-3-7-18(13-16)23-21(26)19-10-11-22-24-19/h1-13,20,25H,(H,22,24)(H,23,26)
InChIKeyGUGIGQAYKPBASV-UHFFFAOYSA-N
XLogP3.90
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide
CID 97227601
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-[3-(chloromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 114293227
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900
3-naphthalen-1-yl-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046351
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CID 107261405
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 76983796
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
CID 142414631
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 75370264

Frequently Asked Questions

What is the IUPAC name of N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide (CID 172723177) is N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(C(O)c2ccc3ccccc3c2)c1)c1ccn[nH]1.
What is the InChIKey of N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GUGIGQAYKPBASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20(17-9-8-14-4-1-2-5-15(14)12-17)16-6-3-7-18(13-16)23-21(26)19-10-11-22-24-19/h1-13,20,25H,(H,22,24)(H,23,26).
What are the key properties of N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?
N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 172723177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).