N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide

C13H22N4O2 — CID 75519336

IUPACN-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(CC)(C(N)=O)C(C)C)cn1
InChIInChI=1S/C13H22N4O2/c1-5-13(9(3)4,12(14)19)16-11(18)10-7-15-17(6-2)8-10/h7-9H,5-6H2,1-4H3,(H2,14,19)(H,16,18)
InChIKeyCXZGRRSTKSTOOM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.92
Rot. Bonds6

About N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide

N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide (PubChem CID 75519336) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide
PubChem CID75519336
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(CC)(C(N)=O)C(C)C)cn1
InChIInChI=1S/C13H22N4O2/c1-5-13(9(3)4,12(14)19)16-11(18)10-7-15-17(6-2)8-10/h7-9H,5-6H2,1-4H3,(H2,14,19)(H,16,18)
InChIKeyCXZGRRSTKSTOOM-UHFFFAOYSA-N
XLogP0.92
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
CID 75498992
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
CID 116590216
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998
3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one
CID 116564365
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
tert-butyl 1-ethylpyrazole-4-carboxylate
CID 175447582
1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide
CID 75371639
1-(1-ethylpyrazol-4-yl)-2-methylpentan-1-one
CID 114964401

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide (CID 75519336) is N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NC(CC)(C(N)=O)C(C)C)cn1.
What is the InChIKey of N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is CXZGRRSTKSTOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-13(9(3)4,12(14)19)16-11(18)10-7-15-17(6-2)8-10/h7-9H,5-6H2,1-4H3,(H2,14,19)(H,16,18).
What are the key properties of N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide?
N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 75519336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).