N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide

C13H20N4O2 — CID 72879541

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC(=O)NC2CC2)c(C)n1
InChIInChI=1S/C13H20N4O2/c1-3-6-17-8-11(9(2)16-17)13(19)14-7-12(18)15-10-4-5-10/h8,10H,3-7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyCCTMMMLKBYJRCL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.61
Rot. Bonds6

About N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 72879541) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide
PubChem CID72879541
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC(=O)NC2CC2)c(C)n1
InChIInChI=1S/C13H20N4O2/c1-3-6-17-8-11(9(2)16-17)13(19)14-7-12(18)15-10-4-5-10/h8,10H,3-7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyCCTMMMLKBYJRCL-UHFFFAOYSA-N
XLogP0.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide (CID 72879541) is N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCC(=O)NC2CC2)c(C)n1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is CCTMMMLKBYJRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-6-17-8-11(9(2)16-17)13(19)14-7-12(18)15-10-4-5-10/h8,10H,3-7H2,1-2H3,(H,14,19)(H,15,18).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72879541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).