4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide

C18H19N5O2 — CID 99699801

IUPAC4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H19N5O2/c1-12(14-6-7-14)23-16(8-9-21-23)22-17(24)11-20-18(25)15-4-2-13(10-19)3-5-15/h2-5,8-9,12,14H,6-7,11H2,1H3,(H,20,25)(H,22,24)/t12-/m0/s1
InChIKeyRJLQOMHTBFJYOZ-LBPRGKRZSA-N
MW337.38 g/mol
LogP2.09
Rot. Bonds6

About 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide

4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 99699801) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID99699801
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H19N5O2/c1-12(14-6-7-14)23-16(8-9-21-23)22-17(24)11-20-18(25)15-4-2-13(10-19)3-5-15/h2-5,8-9,12,14H,6-7,11H2,1H3,(H,20,25)(H,22,24)/t12-/m0/s1
InChIKeyRJLQOMHTBFJYOZ-LBPRGKRZSA-N
XLogP2.09
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide (CID 99699801) is 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide is C[C@@H](C1CC1)n1nccc1NC(=O)CNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is RJLQOMHTBFJYOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12(14-6-7-14)23-16(8-9-21-23)22-17(24)11-20-18(25)15-4-2-13(10-19)3-5-15/h2-5,8-9,12,14H,6-7,11H2,1H3,(H,20,25)(H,22,24)/t12-/m0/s1.
What are the key properties of 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide?
4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 99699801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).