4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C14H22N4O2 — CID 63826168

IUPAC4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCCOC2CCCC2)n[nH]c1C1CC1
InChIInChI=1S/C14H22N4O2/c15-11-12(9-5-6-9)17-18-13(11)14(19)16-7-8-20-10-3-1-2-4-10/h9-10H,1-8,15H2,(H,16,19)(H,17,18)
InChIKeyPKEXDZSDPUOBQA-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.56
Rot. Bonds6

About 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 63826168) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID63826168
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCCOC2CCCC2)n[nH]c1C1CC1
InChIInChI=1S/C14H22N4O2/c15-11-12(9-5-6-9)17-18-13(11)14(19)16-7-8-20-10-3-1-2-4-10/h9-10H,1-8,15H2,(H,16,19)(H,17,18)
InChIKeyPKEXDZSDPUOBQA-UHFFFAOYSA-N
XLogP1.56
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide
CID 62077959
4-amino-N-(2-cyclopentyloxyethyl)-1H-pyrazole-5-carboxamide
CID 55260674
4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
CID 62077444
4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 62077794
4-amino-5-cyclopropyl-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-3-carboxamide
CID 106333015
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 115405300
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 106324532
4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 106425250
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 106163987
4-amino-5-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 62078792
4-amino-5-cyclopropyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 106391751

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 63826168) is 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is Nc1c(C(=O)NCCOC2CCCC2)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is PKEXDZSDPUOBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-11-12(9-5-6-9)17-18-13(11)14(19)16-7-8-20-10-3-1-2-4-10/h9-10H,1-8,15H2,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63826168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).