N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C14H25N3O2 — CID 97095637

IUPACN-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC[C@@H](C)[C@H](O)CNC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C14H25N3O2/c1-6-10(4)13(18)8-15-14(19)12-7-11(9(2)3)16-17(12)5/h7,9-10,13,18H,6,8H2,1-5H3,(H,15,19)/t10-,13-/m1/s1
InChIKeySHCSPOXMYIUZBP-ZWNOBZJWSA-N
MW267.37 g/mol
LogP1.68
Rot. Bonds6

About N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 97095637) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID97095637
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC[C@@H](C)[C@H](O)CNC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C14H25N3O2/c1-6-10(4)13(18)8-15-14(19)12-7-11(9(2)3)16-17(12)5/h7,9-10,13,18H,6,8H2,1-5H3,(H,15,19)/t10-,13-/m1/s1
InChIKeySHCSPOXMYIUZBP-ZWNOBZJWSA-N
XLogP1.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 71917281
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N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
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1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
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N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565456
N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560546
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97123742
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70731485
1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide
CID 171682397
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 97095637) is N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC[C@@H](C)[C@H](O)CNC(=O)c1cc(C(C)C)nn1C.
What is the InChIKey of N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is SHCSPOXMYIUZBP-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-10(4)13(18)8-15-14(19)12-7-11(9(2)3)16-17(12)5/h7,9-10,13,18H,6,8H2,1-5H3,(H,15,19)/t10-,13-/m1/s1.
What are the key properties of N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 97095637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).