N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C14H18N4O — CID 119382148

IUPACN-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCN
InChIInChI=1S/C14H18N4O/c1-10-13(14(19)16-9-8-15)11(2)18(17-10)12-6-4-3-5-7-12/h3-7H,8-9,15H2,1-2H3,(H,16,19)
InChIKeyPDNRYVIDSPSKOR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.18
Rot. Bonds4

About N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 119382148) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID119382148
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCN
InChIInChI=1S/C14H18N4O/c1-10-13(14(19)16-9-8-15)11(2)18(17-10)12-6-4-3-5-7-12/h3-7H,8-9,15H2,1-2H3,(H,16,19)
InChIKeyPDNRYVIDSPSKOR-UHFFFAOYSA-N
XLogP1.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
CID 33076349
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134029697
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477748
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477685
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 36645347
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 112792818
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 119382148) is N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is PDNRYVIDSPSKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-13(14(19)16-9-8-15)11(2)18(17-10)12-6-4-3-5-7-12/h3-7H,8-9,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 119382148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).