3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide

C11H18N4O — CID 106212734

IUPAC3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCC(N)C1)c1cn[nH]c1
InChIInChI=1S/C11H18N4O/c1-7(9-5-13-14-6-9)15-11(16)8-2-3-10(12)4-8/h5-8,10H,2-4,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyVQROJEPPDCUAOZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.71
Rot. Bonds3

About 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 106212734) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID106212734
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCC(N)C1)c1cn[nH]c1
InChIInChI=1S/C11H18N4O/c1-7(9-5-13-14-6-9)15-11(16)8-2-3-10(12)4-8/h5-8,10H,2-4,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyVQROJEPPDCUAOZ-UHFFFAOYSA-N
XLogP0.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993566
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 106212913
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252
(2R,3S)-3-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106208636
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide (CID 106212734) is 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide is CC(NC(=O)C1CCC(N)C1)c1cn[nH]c1.
What is the InChIKey of 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is VQROJEPPDCUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(9-5-13-14-6-9)15-11(16)8-2-3-10(12)4-8/h5-8,10H,2-4,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 106212734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).