N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide

C14H18N4O — CID 55182293

IUPACN-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESCCNC(C)c1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C14H18N4O/c1-3-15-10(2)11-5-4-6-13(7-11)18-14(19)12-8-16-17-9-12/h4-10,15H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYHJZDPIDGVINJT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.33
Rot. Bonds5

About N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide

N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 55182293) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID55182293
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESCCNC(C)c1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C14H18N4O/c1-3-15-10(2)11-5-4-6-13(7-11)18-14(19)12-8-16-17-9-12/h4-10,15H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYHJZDPIDGVINJT-UHFFFAOYSA-N
XLogP2.33
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955
N-[3-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-2-carboxamide
CID 43507835
N-[3-[1-(ethylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507852
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
N-[3-[1-(ethylamino)ethyl]phenyl]furan-2-carboxamide
CID 43507845
N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801384
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 63085076
N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910687

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide (CID 55182293) is N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide is CCNC(C)c1cccc(NC(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is YHJZDPIDGVINJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-15-10(2)11-5-4-6-13(7-11)18-14(19)12-8-16-17-9-12/h4-10,15H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide?
N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55182293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).