N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide

C19H24N4O2 — CID 139014548

IUPACN-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCCN(CCNC(=O)C1CCC1)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-23(11-10-20-18(24)15-4-3-5-15)19(25)16-8-6-14(7-9-16)17-12-21-22-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyOCMAMAPNCILMAD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide

N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 139014548) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide
PubChem CID139014548
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCCN(CCNC(=O)C1CCC1)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-23(11-10-20-18(24)15-4-3-5-15)19(25)16-8-6-14(7-9-16)17-12-21-22-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyOCMAMAPNCILMAD-UHFFFAOYSA-N
XLogP2.46
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
CID 110464313
N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464293
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
CID 156562830
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110473761
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid
CID 119205884
N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68569315
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide (CID 139014548) is N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide is CCN(CCNC(=O)C1CCC1)C(=O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is OCMAMAPNCILMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-23(11-10-20-18(24)15-4-3-5-15)19(25)16-8-6-14(7-9-16)17-12-21-22-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide?
N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 139014548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).