4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide

C13H22N4O — CID 66123131

IUPAC4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NC(C)CC1CC1
InChIInChI=1S/C13H22N4O/c1-4-17-12(11(14)9(3)16-17)13(18)15-8(2)7-10-5-6-10/h8,10H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyYZHHVBCJYJWQRX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.71
Rot. Bonds5

About 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide

4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 66123131) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID66123131
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NC(C)CC1CC1
InChIInChI=1S/C13H22N4O/c1-4-17-12(11(14)9(3)16-17)13(18)15-8(2)7-10-5-6-10/h8,10H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyYZHHVBCJYJWQRX-UHFFFAOYSA-N
XLogP1.71
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide (CID 66123131) is 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NC(C)CC1CC1.
What is the InChIKey of 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is YZHHVBCJYJWQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17-12(11(14)9(3)16-17)13(18)15-8(2)7-10-5-6-10/h8,10H,4-7,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide?
4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).