5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide

C22H25N5O2 — CID 31340751

IUPAC5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
SMILESNC(=O)NCCCCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H25N5O2/c23-22(29)24-14-8-7-13-20(28)25-15-18-16-27(19-11-5-2-6-12-19)26-21(18)17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-15H2,(H,25,28)(H3,23,24,29)
InChIKeyORHMYFHMARCPPH-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.99
Rot. Bonds9

About 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide

5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide (PubChem CID 31340751) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
PubChem CID31340751
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
SMILESNC(=O)NCCCCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H25N5O2/c23-22(29)24-14-8-7-13-20(28)25-15-18-16-27(19-11-5-2-6-12-19)26-21(18)17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-15H2,(H,25,28)(H3,23,24,29)
InChIKeyORHMYFHMARCPPH-UHFFFAOYSA-N
XLogP2.99
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
CID 24548796
3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 46295921
1-butyl-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea
CID 19325003
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
(Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide
CID 19288782
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide
CID 24516173
N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]-4-(methylamino)butanamide
CID 119756780
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26006252
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1,3-diphenylpyrazol-4-yl)methyl]urea
CID 78832409
2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
CID 24606878
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide (CID 31340751) is 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide is NC(=O)NCCCCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is ORHMYFHMARCPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c23-22(29)24-14-8-7-13-20(28)25-15-18-16-27(19-11-5-2-6-12-19)26-21(18)17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-15H2,(H,25,28)(H3,23,24,29).
What are the key properties of 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide?
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 391.48 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 31340751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).