2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C13H23N5O — CID 116652982

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN(C)C(CN)C1CC1
InChIInChI=1S/C13H23N5O/c1-8-13(9(2)17-16-8)15-12(19)7-18(3)11(6-14)10-4-5-10/h10-11H,4-7,14H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyXKLNHRKCQGOEPJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.63
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 116652982) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID116652982
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN(C)C(CN)C1CC1
InChIInChI=1S/C13H23N5O/c1-8-13(9(2)17-16-8)15-12(19)7-18(3)11(6-14)10-4-5-10/h10-11H,4-7,14H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyXKLNHRKCQGOEPJ-UHFFFAOYSA-N
XLogP0.63
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116652517
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 116652439
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 116652601
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683878
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide
CID 116652660
2-cyclopropyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 79506566
2-cyclobutyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 103706885
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide
CID 116652513
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
CID 116653113

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 116652982) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CN(C)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is XKLNHRKCQGOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8-13(9(2)17-16-8)15-12(19)7-18(3)11(6-14)10-4-5-10/h10-11H,4-7,14H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 116652982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).