propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate

C12H20N4O2 — CID 171084129

IUPACpropyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate
SMILESCCCOC(=O)NC1CCC(c2cc(N)n[nH]2)C1
InChIInChI=1S/C12H20N4O2/c1-2-5-18-12(17)14-9-4-3-8(6-9)10-7-11(13)16-15-10/h7-9H,2-6H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyOYPXBCKBOSFZOK-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.76
Rot. Bonds4

About propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate

propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate (PubChem CID 171084129) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate
PubChem CID171084129
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Namepropyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate
SMILESCCCOC(=O)NC1CCC(c2cc(N)n[nH]2)C1
InChIInChI=1S/C12H20N4O2/c1-2-5-18-12(17)14-9-4-3-8(6-9)10-7-11(13)16-15-10/h7-9H,2-6H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyOYPXBCKBOSFZOK-UHFFFAOYSA-N
XLogP1.76
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079558
ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079582
[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate
CID 170612441
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate
CID 175972510
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate
CID 170075167
[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
CID 139823141
benzyl N-[5-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-1H-pyrazol-3-yl]carbamate
CID 176998560
3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide
CID 64524883
butyl N-(3-hydroxycyclobutyl)carbamate
CID 90731053
propyl N-(oxan-4-yl)carbamate
CID 89062839
propan-2-yl N-[3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 164518716
propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079607

Frequently Asked Questions

What is the IUPAC name of propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate?
The IUPAC name of propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate (CID 171084129) is propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate.
What is the SMILES notation for propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate?
The canonical SMILES for propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate is CCCOC(=O)NC1CCC(c2cc(N)n[nH]2)C1.
What is the InChIKey of propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate?
The InChIKey is OYPXBCKBOSFZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-5-18-12(17)14-9-4-3-8(6-9)10-7-11(13)16-15-10/h7-9H,2-6H2,1H3,(H,14,17)(H3,13,15,16).
What are the key properties of propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate?
propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate has a molecular weight of 252.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate is sourced from PubChem (CID 171084129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).