6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide

C13H23N5O2 — CID 65290605

IUPAC6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C13H23N5O2/c1-9(4-3-5-10(2)14)13(20)17-11-6-16-18(7-11)8-12(15)19/h6-7,9-10H,3-5,8,14H2,1-2H3,(H2,15,19)(H,17,20)
InChIKeyLTPDFTLKRCLKAT-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.46
Rot. Bonds8

About 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide

6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide (PubChem CID 65290605) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide
PubChem CID65290605
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C13H23N5O2/c1-9(4-3-5-10(2)14)13(20)17-11-6-16-18(7-11)8-12(15)19/h6-7,9-10H,3-5,8,14H2,1-2H3,(H2,15,19)(H,17,20)
InChIKeyLTPDFTLKRCLKAT-UHFFFAOYSA-N
XLogP0.46
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylpentanamide
CID 104683948
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide
CID 75376897
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132885
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
5-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpentanamide
CID 104684262
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide (CID 65290605) is 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide is CC(N)CCCC(C)C(=O)Nc1cnn(CC(N)=O)c1.
What is the InChIKey of 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide?
The InChIKey is LTPDFTLKRCLKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(4-3-5-10(2)14)13(20)17-11-6-16-18(7-11)8-12(15)19/h6-7,9-10H,3-5,8,14H2,1-2H3,(H2,15,19)(H,17,20).
What are the key properties of 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide?
6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide has a molecular weight of 281.36 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide is sourced from PubChem (CID 65290605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).