4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C19H24N4O3 — CID 50951963

IUPAC4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(N)=O)cc1)C1CC1
InChIInChI=1S/C19H24N4O3/c1-12-17(13(2)22(3)21-12)10-23(15-6-7-15)19(25)14-4-8-16(9-5-14)26-11-18(20)24/h4-5,8-9,15H,6-7,10-11H2,1-3H3,(H2,20,24)
InChIKeyDBGKIBWERRCDCB-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.71
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 50951963) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID50951963
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(N)=O)cc1)C1CC1
InChIInChI=1S/C19H24N4O3/c1-12-17(13(2)22(3)21-12)10-23(15-6-7-15)19(25)14-4-8-16(9-5-14)26-11-18(20)24/h4-5,8-9,15H,6-7,10-11H2,1-3H3,(H2,20,24)
InChIKeyDBGKIBWERRCDCB-UHFFFAOYSA-N
XLogP1.71
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74242191
3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide
CID 72890543
N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 72884307
N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50984971
2-amino-N-cyclopropyl-3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70740986
N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 171386772
1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 72910145
2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
CID 28664404
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 42394007
1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 122556095
N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide
CID 72931796
N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 50951963) is 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(N)=O)cc1)C1CC1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is DBGKIBWERRCDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-17(13(2)22(3)21-12)10-23(15-6-7-15)19(25)14-4-8-16(9-5-14)26-11-18(20)24/h4-5,8-9,15H,6-7,10-11H2,1-3H3,(H2,20,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 50951963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).