[1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid

C13H21N3O3 — CID 170451309

IUPAC[1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid
SMILESCC(C)(C)n1nc(NC(=O)O)cc1C1CCC(O)C1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)16-10(8-4-5-9(17)6-8)7-11(15-16)14-12(18)19/h7-9,17H,4-6H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyUUGPPAMCQQSMDQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.36
Rot. Bonds2

About [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid

[1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid (PubChem CID 170451309) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid
PubChem CID170451309
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid
SMILESCC(C)(C)n1nc(NC(=O)O)cc1C1CCC(O)C1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)16-10(8-4-5-9(17)6-8)7-11(15-16)14-12(18)19/h7-9,17H,4-6H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyUUGPPAMCQQSMDQ-UHFFFAOYSA-N
XLogP2.36
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate
CID 154616768
[1-tert-butyl-3-[(1S,3R)-3-(4,4,4-trifluorobutan-2-ylcarbamoyloxy)cyclopentyl]pyrazol-5-yl]carbamic acid
CID 155025418
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate
CID 156396691
[(1S,2S,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169140996
trans-(2S,4S)-4-[1-tert-butyl-5-(pentan-3-ylamino)pyrazol-3-yl]-2-fluorocyclopentan-1-ol
CID 169141500
[(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142633
[(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143153
[(1R,2R,4S)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143346
[3-[(1R,3S,4S)-3-(1-bicyclo[1.1.1]pentanylcarbamoyloxy)-4-fluorocyclopentyl]-1-tert-butylpyrazol-5-yl]carbamic acid
CID 169759550
[1-tert-butyl-3-[(1S,3S,4S)-3-fluoro-4-hydroxycyclopentyl]pyrazol-5-yl]carbamic acid
CID 169759647
[4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169759668
[1-tert-butyl-3-[(1S,3S,4R)-3-fluoro-4-hydroxycyclopentyl]pyrazol-5-yl]carbamic acid
CID 169759675

Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid?
The IUPAC name of [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid (CID 170451309) is [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid.
What is the SMILES notation for [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid?
The canonical SMILES for [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid is CC(C)(C)n1nc(NC(=O)O)cc1C1CCC(O)C1.
What is the InChIKey of [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid?
The InChIKey is UUGPPAMCQQSMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)16-10(8-4-5-9(17)6-8)7-11(15-16)14-12(18)19/h7-9,17H,4-6H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid?
[1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid has a molecular weight of 267.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-5-(3-hydroxycyclopentyl)pyrazol-3-yl]carbamic acid is sourced from PubChem (CID 170451309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).