N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C17H27N5O — CID 75382230

IUPACN-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCn1nc(C2CCC2)cc1NC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H27N5O/c1-20-16(11-15(19-20)13-5-4-6-13)18-17(23)22-10-7-14(12-22)21-8-2-3-9-21/h11,13-14H,2-10,12H2,1H3,(H,18,23)
InChIKeyYPXRDIRHZUFSAA-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.39
Rot. Bonds3

About N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 75382230) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID75382230
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCn1nc(C2CCC2)cc1NC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H27N5O/c1-20-16(11-15(19-20)13-5-4-6-13)18-17(23)22-10-7-14(12-22)21-8-2-3-9-21/h11,13-14H,2-10,12H2,1H3,(H,18,23)
InChIKeyYPXRDIRHZUFSAA-UHFFFAOYSA-N
XLogP2.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-cyclopentyl-1-methylpyrazol-5-yl)-5-hydroxypyridine-3-carboxamide
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(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
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(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
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N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 75382230) is N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is Cn1nc(C2CCC2)cc1NC(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is YPXRDIRHZUFSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-20-16(11-15(19-20)13-5-4-6-13)18-17(23)22-10-7-14(12-22)21-8-2-3-9-21/h11,13-14H,2-10,12H2,1H3,(H,18,23).
What are the key properties of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 75382230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).