N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide

C17H24N6O2 — CID 72929182

IUPACN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n(C(C)C)n1
InChIInChI=1S/C17H24N6O2/c1-12(2)23-15(11-13(3)20-23)19-17(25)22-9-7-21(8-10-22)16(24)14-5-4-6-18-14/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,25)
InChIKeyZECYFWOUMPJXBK-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.09
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide (PubChem CID 72929182) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide
PubChem CID72929182
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n(C(C)C)n1
InChIInChI=1S/C17H24N6O2/c1-12(2)23-15(11-13(3)20-23)19-17(25)22-9-7-21(8-10-22)16(24)14-5-4-6-18-14/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,25)
InChIKeyZECYFWOUMPJXBK-UHFFFAOYSA-N
XLogP2.09
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide (CID 72929182) is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n(C(C)C)n1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is ZECYFWOUMPJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12(2)23-15(11-13(3)20-23)19-17(25)22-9-7-21(8-10-22)16(24)14-5-4-6-18-14/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,25).
What are the key properties of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide?
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 72929182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).