N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide

C10H12N4O — CID 63823243

IUPACN-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(C#N)C2CC2)cn1
InChIInChI=1S/C10H12N4O/c1-14-6-8(5-12-14)10(15)13-9(4-11)7-2-3-7/h5-7,9H,2-3H2,1H3,(H,13,15)
InChIKeyYZDONRVYOXNWKQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.45
Rot. Bonds3

About N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide

N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 63823243) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID63823243
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(C#N)C2CC2)cn1
InChIInChI=1S/C10H12N4O/c1-14-6-8(5-12-14)10(15)13-9(4-11)7-2-3-7/h5-7,9H,2-3H2,1H3,(H,13,15)
InChIKeyYZDONRVYOXNWKQ-UHFFFAOYSA-N
XLogP0.45
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide (CID 63823243) is N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC(C#N)C2CC2)cn1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YZDONRVYOXNWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-6-8(5-12-14)10(15)13-9(4-11)7-2-3-7/h5-7,9H,2-3H2,1H3,(H,13,15).
What are the key properties of N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide?
N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 63823243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).