N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C15H19N7O2 — CID 134787919

IUPACN-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCn1cc(C(=O)NCc2nnc3n2C(C(=O)NC2CC2)CC3)cn1
InChIInChI=1S/C15H19N7O2/c1-21-8-9(6-17-21)14(23)16-7-13-20-19-12-5-4-11(22(12)13)15(24)18-10-2-3-10/h6,8,10-11H,2-5,7H2,1H3,(H,16,23)(H,18,24)
InChIKeyXAYSDPIILKNECF-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.29
Rot. Bonds5

About N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134787919) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134787919
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCn1cc(C(=O)NCc2nnc3n2C(C(=O)NC2CC2)CC3)cn1
InChIInChI=1S/C15H19N7O2/c1-21-8-9(6-17-21)14(23)16-7-13-20-19-12-5-4-11(22(12)13)15(24)18-10-2-3-10/h6,8,10-11H,2-5,7H2,1H3,(H,16,23)(H,18,24)
InChIKeyXAYSDPIILKNECF-UHFFFAOYSA-N
XLogP-0.29
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134787919) is N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is Cn1cc(C(=O)NCc2nnc3n2C(C(=O)NC2CC2)CC3)cn1.
What is the InChIKey of N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is XAYSDPIILKNECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-21-8-9(6-17-21)14(23)16-7-13-20-19-12-5-4-11(22(12)13)15(24)18-10-2-3-10/h6,8,10-11H,2-5,7H2,1H3,(H,16,23)(H,18,24).
What are the key properties of N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134787919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).