N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

C15H21N5O — CID 104618886

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cccn2C2CCNCC2)c1C
InChIInChI=1S/C15H21N5O/c1-10-11(2)18-19-14(10)17-15(21)13-4-3-9-20(13)12-5-7-16-8-6-12/h3-4,9,12,16H,5-8H2,1-2H3,(H2,17,18,19,21)
InChIKeyPJYQIPKFCFCCNZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.00
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 104618886) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID104618886
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cccn2C2CCNCC2)c1C
InChIInChI=1S/C15H21N5O/c1-10-11(2)18-19-14(10)17-15(21)13-4-3-9-20(13)12-5-7-16-8-6-12/h3-4,9,12,16H,5-8H2,1-2H3,(H2,17,18,19,21)
InChIKeyPJYQIPKFCFCCNZ-UHFFFAOYSA-N
XLogP2.00
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (CID 104618886) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is Cc1[nH]nc(NC(=O)c2cccn2C2CCNCC2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is PJYQIPKFCFCCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-11(2)18-19-14(10)17-15(21)13-4-3-9-20(13)12-5-7-16-8-6-12/h3-4,9,12,16H,5-8H2,1-2H3,(H2,17,18,19,21).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 104618886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).