N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide

C12H17N5O — CID 19474824

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cn(C)nc2C)cn1
InChIInChI=1S/C12H17N5O/c1-4-17-7-10(6-14-17)5-13-12(18)11-8-16(3)15-9(11)2/h6-8H,4-5H2,1-3H3,(H,13,18)
InChIKeyBLFNSGJSFPTQSG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.87
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 19474824) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID19474824
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cn(C)nc2C)cn1
InChIInChI=1S/C12H17N5O/c1-4-17-7-10(6-14-17)5-13-12(18)11-8-16(3)15-9(11)2/h6-8H,4-5H2,1-3H3,(H,13,18)
InChIKeyBLFNSGJSFPTQSG-UHFFFAOYSA-N
XLogP0.87
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261948
1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 20836792
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19296706
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
N-[(4-carbamothioylphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801548
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220
1-[(1-ethylpyrazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342950

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide (CID 19474824) is N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide is CCn1cc(CNC(=O)c2cn(C)nc2C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is BLFNSGJSFPTQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-17-7-10(6-14-17)5-13-12(18)11-8-16(3)15-9(11)2/h6-8H,4-5H2,1-3H3,(H,13,18).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).