1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile

C15H19N5 — CID 129401409

IUPAC1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CN2CCC(c3ccn[nH]3)CC2)cc1C#N
InChIInChI=1S/C15H19N5/c1-19-10-12(8-14(19)9-16)11-20-6-3-13(4-7-20)15-2-5-17-18-15/h2,5,8,10,13H,3-4,6-7,11H2,1H3,(H,17,18)
InChIKeyZKXSPMAADPPJKH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.00
Rot. Bonds3

About 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile

1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile (PubChem CID 129401409) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
PubChem CID129401409
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CN2CCC(c3ccn[nH]3)CC2)cc1C#N
InChIInChI=1S/C15H19N5/c1-19-10-12(8-14(19)9-16)11-20-6-3-13(4-7-20)15-2-5-17-18-15/h2,5,8,10,13H,3-4,6-7,11H2,1H3,(H,17,18)
InChIKeyZKXSPMAADPPJKH-UHFFFAOYSA-N
XLogP2.00
TPSA60.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile (CID 129401409) is 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile is Cn1cc(CN2CCC(c3ccn[nH]3)CC2)cc1C#N.
What is the InChIKey of 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile?
The InChIKey is ZKXSPMAADPPJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-19-10-12(8-14(19)9-16)11-20-6-3-13(4-7-20)15-2-5-17-18-15/h2,5,8,10,13H,3-4,6-7,11H2,1H3,(H,17,18).
What are the key properties of 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile?
1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 129401409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).