N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C16H21N3O3 — CID 99821335

IUPACN-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC[C@@](C)(CO)NC(=O)c1cc(-c2ccccc2OC)n[nH]1
InChIInChI=1S/C16H21N3O3/c1-4-16(2,10-20)17-15(21)13-9-12(18-19-13)11-7-5-6-8-14(11)22-3/h5-9,20H,4,10H2,1-3H3,(H,17,21)(H,18,19)/t16-/m0/s1
InChIKeyYMQOWWHEVBUCTN-INIZCTEOSA-N
MW303.36 g/mol
LogP1.98
Rot. Bonds6

About N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 99821335) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID99821335
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC[C@@](C)(CO)NC(=O)c1cc(-c2ccccc2OC)n[nH]1
InChIInChI=1S/C16H21N3O3/c1-4-16(2,10-20)17-15(21)13-9-12(18-19-13)11-7-5-6-8-14(11)22-3/h5-9,20H,4,10H2,1-3H3,(H,17,21)(H,18,19)/t16-/m0/s1
InChIKeyYMQOWWHEVBUCTN-INIZCTEOSA-N
XLogP1.98
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 86786743
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N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760975
N-[(Z)-(4-ethylphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6256744
3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 121084015
3-(2-methoxyphenyl)-N-(2-methyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 75512411
N-[4-(2-fluorophenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90574577
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90580562

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 99821335) is N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is CC[C@@](C)(CO)NC(=O)c1cc(-c2ccccc2OC)n[nH]1.
What is the InChIKey of N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YMQOWWHEVBUCTN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-16(2,10-20)17-15(21)13-9-12(18-19-13)11-7-5-6-8-14(11)22-3/h5-9,20H,4,10H2,1-3H3,(H,17,21)(H,18,19)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99821335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).