(3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide

C17H30N4O2 — CID 129358168

IUPAC(3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ncc(NC(=O)N2CC[C@@H](CO)C2)c1C(C)C
InChIInChI=1S/C17H30N4O2/c1-12(2)5-8-21-16(13(3)4)15(9-18-21)19-17(23)20-7-6-14(10-20)11-22/h9,12-14,22H,5-8,10-11H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeyCLRDFXQJTDJUIX-CQSZACIVSA-N
MW322.45 g/mol
LogP2.90
Rot. Bonds6

About (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide (PubChem CID 129358168) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide
PubChem CID129358168
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ncc(NC(=O)N2CC[C@@H](CO)C2)c1C(C)C
InChIInChI=1S/C17H30N4O2/c1-12(2)5-8-21-16(13(3)4)15(9-18-21)19-17(23)20-7-6-14(10-20)11-22/h9,12-14,22H,5-8,10-11H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeyCLRDFXQJTDJUIX-CQSZACIVSA-N
XLogP2.90
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122088382
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
3-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-1-carboxamide
CID 111442897
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
CID 111443553
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443203

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide (CID 129358168) is (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide is CC(C)CCn1ncc(NC(=O)N2CC[C@@H](CO)C2)c1C(C)C.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is CLRDFXQJTDJUIX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12(2)5-8-21-16(13(3)4)15(9-18-21)19-17(23)20-7-6-14(10-20)11-22/h9,12-14,22H,5-8,10-11H2,1-4H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129358168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).