(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide

C16H20N4O3 — CID 124855487

IUPAC(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(Cn2cc(NC(=O)N3CC[C@H](O)C3)cn2)cc1
InChIInChI=1S/C16H20N4O3/c1-23-15-4-2-12(3-5-15)9-20-10-13(8-17-20)18-16(22)19-7-6-14(21)11-19/h2-5,8,10,14,21H,6-7,9,11H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyZCLJKSXLXIWPPP-AWEZNQCLSA-N
MW316.36 g/mol
LogP1.54
Rot. Bonds4

About (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide

(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide (PubChem CID 124855487) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
PubChem CID124855487
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(Cn2cc(NC(=O)N3CC[C@H](O)C3)cn2)cc1
InChIInChI=1S/C16H20N4O3/c1-23-15-4-2-12(3-5-15)9-20-10-13(8-17-20)18-16(22)19-7-6-14(21)11-19/h2-5,8,10,14,21H,6-7,9,11H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyZCLJKSXLXIWPPP-AWEZNQCLSA-N
XLogP1.54
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
CID 124567707
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]butanoic acid
CID 122022440
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111566301
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
CID 95899241
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone
CID 119663438
1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine
CID 141333156
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide (CID 124855487) is (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide is COc1ccc(Cn2cc(NC(=O)N3CC[C@H](O)C3)cn2)cc1.
What is the InChIKey of (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is ZCLJKSXLXIWPPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-23-15-4-2-12(3-5-15)9-20-10-13(8-17-20)18-16(22)19-7-6-14(21)11-19/h2-5,8,10,14,21H,6-7,9,11H2,1H3,(H,18,22)/t14-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide?
(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124855487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).