2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide

C14H26N4O — CID 107473003

IUPAC2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide
SMILESCCc1nn(C)cc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-6-11-12(9-18(5)17-11)16-13(19)10(8-15)7-14(2,3)4/h9-10H,6-8,15H2,1-5H3,(H,16,19)
InChIKeyPBYZKIRPVHCRPM-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.93
Rot. Bonds5

About 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide (PubChem CID 107473003) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide
PubChem CID107473003
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide
SMILESCCc1nn(C)cc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-6-11-12(9-18(5)17-11)16-13(19)10(8-15)7-14(2,3)4/h9-10H,6-8,15H2,1-5H3,(H,16,19)
InChIKeyPBYZKIRPVHCRPM-UHFFFAOYSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpentanamide
CID 107472643
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107464409
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methoxypropanamide
CID 107463127
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylsulfonylbutanamide
CID 103951288
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 107464162
2-amino-N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]acetamide
CID 107463145
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 107464182

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide (CID 107473003) is 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide is CCc1nn(C)cc1NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide?
The InChIKey is PBYZKIRPVHCRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-11-12(9-18(5)17-11)16-13(19)10(8-15)7-14(2,3)4/h9-10H,6-8,15H2,1-5H3,(H,16,19).
What are the key properties of 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide has a molecular weight of 266.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107473003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).