N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide

C16H21N5O2 — CID 60591643

IUPACN-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide
SMILESCCCNC(=O)CNC(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C16H21N5O2/c1-2-8-17-15(22)11-18-16(23)20-14-6-4-13(5-7-14)12-21-10-3-9-19-21/h3-7,9-10H,2,8,11-12H2,1H3,(H,17,22)(H2,18,20,23)
InChIKeyIWPBUZXVQPQAJB-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.58
Rot. Bonds7

About N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide

N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide (PubChem CID 60591643) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide
PubChem CID60591643
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide
SMILESCCCNC(=O)CNC(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C16H21N5O2/c1-2-8-17-15(22)11-18-16(23)20-14-6-4-13(5-7-14)12-21-10-3-9-19-21/h3-7,9-10H,2,8,11-12H2,1H3,(H,17,22)(H2,18,20,23)
InChIKeyIWPBUZXVQPQAJB-UHFFFAOYSA-N
XLogP1.58
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 112824919
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111474317
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 60933639
5-hydroxy-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 79199425
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 134045231
2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide
CID 61340044

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide?
The IUPAC name of N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide (CID 60591643) is N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide is CCCNC(=O)CNC(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide?
The InChIKey is IWPBUZXVQPQAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-8-17-15(22)11-18-16(23)20-14-6-4-13(5-7-14)12-21-10-3-9-19-21/h3-7,9-10H,2,8,11-12H2,1H3,(H,17,22)(H2,18,20,23).
What are the key properties of N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide?
N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 60591643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).