N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide

C11H14N6O — CID 29001156

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cn1ccnn1
InChIInChI=1S/C11H14N6O/c1-16-10(6-9(14-16)8-2-3-8)13-11(18)7-17-5-4-12-15-17/h4-6,8H,2-3,7H2,1H3,(H,13,18)
InChIKeyYVIBNLQQVZARCI-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.53
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide (PubChem CID 29001156) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
PubChem CID29001156
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cn1ccnn1
InChIInChI=1S/C11H14N6O/c1-16-10(6-9(14-16)8-2-3-8)13-11(18)7-17-5-4-12-15-17/h4-6,8H,2-3,7H2,1H3,(H,13,18)
InChIKeyYVIBNLQQVZARCI-UHFFFAOYSA-N
XLogP0.53
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide (CID 29001156) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide is Cn1nc(C2CC2)cc1NC(=O)Cn1ccnn1.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide?
The InChIKey is YVIBNLQQVZARCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-16-10(6-9(14-16)8-2-3-8)13-11(18)7-17-5-4-12-15-17/h4-6,8H,2-3,7H2,1H3,(H,13,18).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 29001156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).