N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C13H21N3O2 — CID 124843448

IUPACN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H21N3O2/c1-3-8(2)11(7-17)14-13(18)12-9-5-4-6-10(9)15-16-12/h8,11,17H,3-7H2,1-2H3,(H,14,18)(H,15,16)/t8-,11-/m0/s1
InChIKeyDSLDYSDARFJUFK-KWQFWETISA-N
MW251.33 g/mol
LogP1.04
Rot. Bonds5

About N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 124843448) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID124843448
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H21N3O2/c1-3-8(2)11(7-17)14-13(18)12-9-5-4-6-10(9)15-16-12/h8,11,17H,3-7H2,1-2H3,(H,14,18)(H,15,16)/t8-,11-/m0/s1
InChIKeyDSLDYSDARFJUFK-KWQFWETISA-N
XLogP1.04
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 124852516
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid
CID 91645213
N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820248
N-(1-thiophen-2-ylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 131923513
N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 872955
N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111483508
N-[1-(4-bromophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112842470
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 124843448) is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CC[C@H](C)[C@H](CO)NC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is DSLDYSDARFJUFK-KWQFWETISA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-8(2)11(7-17)14-13(18)12-9-5-4-6-10(9)15-16-12/h8,11,17H,3-7H2,1-2H3,(H,14,18)(H,15,16)/t8-,11-/m0/s1.
What are the key properties of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 124843448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).