3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide

C15H23N3O2 — CID 91796215

IUPAC3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(NC(=O)c1c(C2CC2)n[nH]c1C)C1CC(O)C1
InChIInChI=1S/C15H23N3O2/c1-3-12(10-6-11(19)7-10)16-15(20)13-8(2)17-18-14(13)9-4-5-9/h9-12,19H,3-7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyHJGDSKFHWYVLDM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.87
Rot. Bonds5

About 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide

3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 91796215) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID91796215
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(NC(=O)c1c(C2CC2)n[nH]c1C)C1CC(O)C1
InChIInChI=1S/C15H23N3O2/c1-3-12(10-6-11(19)7-10)16-15(20)13-8(2)17-18-14(13)9-4-5-9/h9-12,19H,3-7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyHJGDSKFHWYVLDM-UHFFFAOYSA-N
XLogP1.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 91796215) is 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide is CCC(NC(=O)c1c(C2CC2)n[nH]c1C)C1CC(O)C1.
What is the InChIKey of 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is HJGDSKFHWYVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12(10-6-11(19)7-10)16-15(20)13-8(2)17-18-14(13)9-4-5-9/h9-12,19H,3-7H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide?
3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(3-hydroxycyclobutyl)propyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91796215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).