2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide

C12H20N4O — CID 55035543

IUPAC2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H20N4O/c1-2-6-15(8-10-3-4-10)12(17)9-16-7-5-11(13)14-16/h5,7,10H,2-4,6,8-9H2,1H3,(H2,13,14)
InChIKeyVSOCACWNKCQDLV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.11
Rot. Bonds6

About 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide

2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide (PubChem CID 55035543) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide
PubChem CID55035543
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H20N4O/c1-2-6-15(8-10-3-4-10)12(17)9-16-7-5-11(13)14-16/h5,7,10H,2-4,6,8-9H2,1H3,(H2,13,14)
InChIKeyVSOCACWNKCQDLV-UHFFFAOYSA-N
XLogP1.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide
CID 63630834
2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide
CID 62113064
2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide
CID 62102852
2-(3-aminopyrazol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62102871
2-(3-aminopyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693887
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide
CID 55035971
2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 82741366
2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide
CID 62114088
N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 62101394
2-(3-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 62113912
2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
CID 43655345

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide (CID 55035543) is 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide is CCCN(CC1CC1)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide?
The InChIKey is VSOCACWNKCQDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-6-15(8-10-3-4-10)12(17)9-16-7-5-11(13)14-16/h5,7,10H,2-4,6,8-9H2,1H3,(H2,13,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide?
2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide has a molecular weight of 236.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide is sourced from PubChem (CID 55035543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).