2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide

C18H24ClN5O2 — CID 124593965

About 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide

2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide (PubChem CID 124593965) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide
• PubChem CID: 124593965
• Molecular Formula: C18H24ClN5O2
• Molecular Weight: 377.88 g/mol
• Exact Mass: 377.16
• IUPAC Name: 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide
• SMILES: CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1Cl
• InChI: InChI=1S/C18H24ClN5O2/c1-4-7-20-17(25)15-6-5-13(10-16(15)19)22-18(26)21-11(2)8-14-9-12(3)23-24-14/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,25)(H,23,24)(H2,21,22,26)/t11-/m0/s1
• InChIKey: JODNWPWIKMLEIV-NSHDSACASA-N
• XLogP: 3.26
• TPSA: 98.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.88
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide?

The IUPAC name of 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide (CID 124593965) is 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide.

What is the SMILES notation for 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide?

The canonical SMILES for 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1Cl.

What is the InChIKey of 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide?

The InChIKey is JODNWPWIKMLEIV-NSHDSACASA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-4-7-20-17(25)15-6-5-13(10-16(15)19)22-18(26)21-11(2)8-14-9-12(3)23-24-14/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,25)(H,23,24)(H2,21,22,26)/t11-/m0/s1.

What are the key properties of 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide?

2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide has a molecular weight of 377.88 g/mol, XLogP of 3.26, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide is sourced from PubChem (CID 124593965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).