N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide

C15H19N5O2 — CID 75475736

IUPACN-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)c1cccc(C(=O)NCCNC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C15H19N5O2/c1-20(2)12-5-3-4-11(10-12)14(21)16-8-9-17-15(22)13-6-7-18-19-13/h3-7,10H,8-9H2,1-2H3,(H,16,21)(H,17,22)(H,18,19)
InChIKeyTYNBZTRNVAQDGH-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.64
Rot. Bonds6

About N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 75475736) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID75475736
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)c1cccc(C(=O)NCCNC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C15H19N5O2/c1-20(2)12-5-3-4-11(10-12)14(21)16-8-9-17-15(22)13-6-7-18-19-13/h3-7,10H,8-9H2,1-2H3,(H,16,21)(H,17,22)(H,18,19)
InChIKeyTYNBZTRNVAQDGH-UHFFFAOYSA-N
XLogP0.64
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide (CID 75475736) is N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide is CN(C)c1cccc(C(=O)NCCNC(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is TYNBZTRNVAQDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-20(2)12-5-3-4-11(10-12)14(21)16-8-9-17-15(22)13-6-7-18-19-13/h3-7,10H,8-9H2,1-2H3,(H,16,21)(H,17,22)(H,18,19).
What are the key properties of N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75475736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).