3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide

C21H24N4O2 — CID 97135558

IUPAC3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC[C@H](C)N(C)c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(25(2)17-7-5-4-6-8-17)14-22-21(26)20-13-19(23-24-20)16-9-11-18(27-3)12-10-16/h4-13,15H,14H2,1-3H3,(H,22,26)(H,23,24)/t15-/m0/s1
InChIKeyLKLRTJAKFUXFHF-HNNXBMFYSA-N
MW364.45 g/mol
LogP3.34
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 97135558) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide
PubChem CID97135558
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC[C@H](C)N(C)c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(25(2)17-7-5-4-6-8-17)14-22-21(26)20-13-19(23-24-20)16-9-11-18(27-3)12-10-16/h4-13,15H,14H2,1-3H3,(H,22,26)(H,23,24)/t15-/m0/s1
InChIKeyLKLRTJAKFUXFHF-HNNXBMFYSA-N
XLogP3.34
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 70770928
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 20918247
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20864956

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide (CID 97135558) is 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC[C@H](C)N(C)c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LKLRTJAKFUXFHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(25(2)17-7-5-4-6-8-17)14-22-21(26)20-13-19(23-24-20)16-9-11-18(27-3)12-10-16/h4-13,15H,14H2,1-3H3,(H,22,26)(H,23,24)/t15-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97135558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).