2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide

C19H35ClN4O — CID 19538499

IUPAC2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)C(C)n1cc(Cl)cn1
InChIInChI=1S/C19H35ClN4O/c1-5-7-9-11-23(12-10-8-6-2)14-16(3)22-19(25)17(4)24-15-18(20)13-21-24/h13,15-17H,5-12,14H2,1-4H3,(H,22,25)
InChIKeyDRURHRUYTVEYGE-UHFFFAOYSA-N
MW370.97 g/mol
LogP4.28
Rot. Bonds13

About 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide

2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide (PubChem CID 19538499) has the molecular formula C19H35ClN4O and a molecular weight of 370.97 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
PubChem CID19538499
Molecular FormulaC19H35ClN4O
Molecular Weight370.97 g/mol
Exact Mass370.25
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)C(C)n1cc(Cl)cn1
InChIInChI=1S/C19H35ClN4O/c1-5-7-9-11-23(12-10-8-6-2)14-16(3)22-19(25)17(4)24-15-18(20)13-21-24/h13,15-17H,5-12,14H2,1-4H3,(H,22,25)
InChIKeyDRURHRUYTVEYGE-UHFFFAOYSA-N
XLogP4.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.97
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide (CID 19538499) is 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide is CCCCCN(CCCCC)CC(C)NC(=O)C(C)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide?
The InChIKey is DRURHRUYTVEYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35ClN4O/c1-5-7-9-11-23(12-10-8-6-2)14-16(3)22-19(25)17(4)24-15-18(20)13-21-24/h13,15-17H,5-12,14H2,1-4H3,(H,22,25).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide?
2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide has a molecular weight of 370.97 g/mol, XLogP of 4.28, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide is sourced from PubChem (CID 19538499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).