4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide

C14H24N4O2 — CID 102858736

IUPAC4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(CCCO)C2CCC2)c1N
InChIInChI=1S/C14H24N4O2/c1-2-5-11-12(15)13(17-16-11)14(20)18(8-4-9-19)10-6-3-7-10/h10,19H,2-9,15H2,1H3,(H,16,17)
InChIKeyYDTNQKRMBBOMED-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.32
Rot. Bonds7

About 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 102858736) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID102858736
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(CCCO)C2CCC2)c1N
InChIInChI=1S/C14H24N4O2/c1-2-5-11-12(15)13(17-16-11)14(20)18(8-4-9-19)10-6-3-7-10/h10,19H,2-9,15H2,1H3,(H,16,17)
InChIKeyYDTNQKRMBBOMED-UHFFFAOYSA-N
XLogP1.32
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclobutyl-5-cyclopropyl-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 102858841
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082354
4-amino-N-cyclopropyl-5-ethyl-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
CID 55034194
4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 82741207
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 63694582
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034385
4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075783
3-[cyclopropyl(propyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65370323
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-5-propyl-1H-pyrazol-3-yl)methanone
CID 62077104
4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075785
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62077251

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 102858736) is 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)N(CCCO)C2CCC2)c1N.
What is the InChIKey of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is YDTNQKRMBBOMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-5-11-12(15)13(17-16-11)14(20)18(8-4-9-19)10-6-3-7-10/h10,19H,2-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 102858736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).