4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide

C12H22N4O — CID 114143984

IUPAC4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
SMILESCn1ccc(CCNC(=O)CCC(C)(C)N)n1
InChIInChI=1S/C12H22N4O/c1-12(2,13)7-4-11(17)14-8-5-10-6-9-16(3)15-10/h6,9H,4-5,7-8,13H2,1-3H3,(H,14,17)
InChIKeyPFRUOGKXHZPPRC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.60
Rot. Bonds6

About 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide

4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide (PubChem CID 114143984) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
PubChem CID114143984
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
SMILESCn1ccc(CCNC(=O)CCC(C)(C)N)n1
InChIInChI=1S/C12H22N4O/c1-12(2,13)7-4-11(17)14-8-5-10-6-9-16(3)15-10/h6,9H,4-5,7-8,13H2,1-3H3,(H,14,17)
InChIKeyPFRUOGKXHZPPRC-UHFFFAOYSA-N
XLogP0.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
3-amino-4,4-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143974
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106105094
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
CID 114143955
2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106104898
2,2-dimethyl-3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 114144062
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
(2S)-2-amino-3-methyl-N-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 106105106
3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106106032
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide?
The IUPAC name of 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide (CID 114143984) is 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide?
The canonical SMILES for 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide is Cn1ccc(CCNC(=O)CCC(C)(C)N)n1.
What is the InChIKey of 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide?
The InChIKey is PFRUOGKXHZPPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,13)7-4-11(17)14-8-5-10-6-9-16(3)15-10/h6,9H,4-5,7-8,13H2,1-3H3,(H,14,17).
What are the key properties of 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide?
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide has a molecular weight of 238.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 114143984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).