N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide

C11H20N4O — CID 106285778

IUPACN-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-3-8(4-2)10(12)7-13-11(16)9-5-14-15-6-9/h5-6,8,10H,3-4,7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyNXCHQIURZPDPOS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.90
Rot. Bonds6

About N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide

N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide (PubChem CID 106285778) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
PubChem CID106285778
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-3-8(4-2)10(12)7-13-11(16)9-5-14-15-6-9/h5-6,8,10H,3-4,7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyNXCHQIURZPDPOS-UHFFFAOYSA-N
XLogP0.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
CID 62651511
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
N-(2-amino-3-ethylpentyl)-4-ethylbenzamide
CID 106286266
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114168502
N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
CID 106285997
N-(2-amino-3-ethylpentyl)-2-methylpyridine-4-carboxamide
CID 114168485
N-(2-amino-3-ethylpentyl)-3-methylbenzamide
CID 106286438
N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
CID 64991887
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide (CID 106285778) is N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide is CCC(CC)C(N)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide?
The InChIKey is NXCHQIURZPDPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-8(4-2)10(12)7-13-11(16)9-5-14-15-6-9/h5-6,8,10H,3-4,7,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide?
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106285778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).