4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide

C16H23ClN6O2 — CID 19398509

IUPAC4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)C(C)n1cc(Cl)c(C)n1
InChIInChI=1S/C16H23ClN6O2/c1-5-7-18-16(25)14-13(9-22(6-2)21-14)19-15(24)11(4)23-8-12(17)10(3)20-23/h8-9,11H,5-7H2,1-4H3,(H,18,25)(H,19,24)
InChIKeyAUOYGRLNCVSWBG-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.40
Rot. Bonds7

About 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide

4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide (PubChem CID 19398509) has the molecular formula C16H23ClN6O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
PubChem CID19398509
Molecular FormulaC16H23ClN6O2
Molecular Weight366.85 g/mol
Exact Mass366.16
IUPAC Name4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)C(C)n1cc(Cl)c(C)n1
InChIInChI=1S/C16H23ClN6O2/c1-5-7-18-16(25)14-13(9-22(6-2)21-14)19-15(24)11(4)23-8-12(17)10(3)20-23/h8-9,11H,5-7H2,1-4H3,(H,18,25)(H,19,24)
InChIKeyAUOYGRLNCVSWBG-UHFFFAOYSA-N
XLogP2.40
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
CID 19400133
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19448005
4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398392
4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398356
4-(butylcarbamoylamino)-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448031
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide
CID 19398463
2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 19534153
4-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398520
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
CID 19575410
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400126
4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 4770289

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide (CID 19398509) is 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)C(C)n1cc(Cl)c(C)n1.
What is the InChIKey of 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The InChIKey is AUOYGRLNCVSWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6O2/c1-5-7-18-16(25)14-13(9-22(6-2)21-14)19-15(24)11(4)23-8-12(17)10(3)20-23/h8-9,11H,5-7H2,1-4H3,(H,18,25)(H,19,24).
What are the key properties of 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19398509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).