2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide

C13H25N5O — CID 66019457

IUPAC2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCCc1nn(C)c(N(C)CC(=O)NC(C)C)c1N
InChIInChI=1S/C13H25N5O/c1-6-7-10-12(14)13(18(5)16-10)17(4)8-11(19)15-9(2)3/h9H,6-8,14H2,1-5H3,(H,15,19)
InChIKeyOTCCPVRCHQUBNP-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.92
Rot. Bonds6

About 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide

2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 66019457) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID66019457
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCCc1nn(C)c(N(C)CC(=O)NC(C)C)c1N
InChIInChI=1S/C13H25N5O/c1-6-7-10-12(14)13(18(5)16-10)17(4)8-11(19)15-9(2)3/h9H,6-8,14H2,1-5H3,(H,15,19)
InChIKeyOTCCPVRCHQUBNP-UHFFFAOYSA-N
XLogP0.92
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine
CID 66019042
5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine
CID 66019626
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]-N,N-dimethylacetamide
CID 66016573
5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
CID 66019252
5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66018897
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
CID 66017153
5-N-cyclopropyl-1-methyl-5-N-(2-methylpropyl)-3-propylpyrazole-4,5-diamine
CID 66018877
3-ethyl-5-N,1-dimethyl-5-N-propylpyrazole-4,5-diamine
CID 66014379
4-amino-1-methyl-3-propylpyrazole-5-carboxamide
CID 3338044
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66017701

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide (CID 66019457) is 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide is CCCc1nn(C)c(N(C)CC(=O)NC(C)C)c1N.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is OTCCPVRCHQUBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-6-7-10-12(14)13(18(5)16-10)17(4)8-11(19)15-9(2)3/h9H,6-8,14H2,1-5H3,(H,15,19).
What are the key properties of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 267.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 66019457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).