5-[(1-propylpyrazol-4-yl)methylamino]pentanamide

C12H22N4O — CID 114161780

IUPAC5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
SMILESCCCn1cc(CNCCCCC(N)=O)cn1
InChIInChI=1S/C12H22N4O/c1-2-7-16-10-11(9-15-16)8-14-6-4-3-5-12(13)17/h9-10,14H,2-8H2,1H3,(H2,13,17)
InChIKeyHNOYWQSEJZYWED-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.04
Rot. Bonds9

About 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide

5-[(1-propylpyrazol-4-yl)methylamino]pentanamide (PubChem CID 114161780) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
PubChem CID114161780
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
SMILESCCCn1cc(CNCCCCC(N)=O)cn1
InChIInChI=1S/C12H22N4O/c1-2-7-16-10-11(9-15-16)8-14-6-4-3-5-12(13)17/h9-10,14H,2-8H2,1H3,(H2,13,17)
InChIKeyHNOYWQSEJZYWED-UHFFFAOYSA-N
XLogP1.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
CID 62126521
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
CID 106234065
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571643
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 103701847
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103740168
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115632420
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide?
The IUPAC name of 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide (CID 114161780) is 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide is CCCn1cc(CNCCCCC(N)=O)cn1.
What is the InChIKey of 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide?
The InChIKey is HNOYWQSEJZYWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-7-16-10-11(9-15-16)8-14-6-4-3-5-12(13)17/h9-10,14H,2-8H2,1H3,(H2,13,17).
What are the key properties of 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide?
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide has a molecular weight of 238.33 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propylpyrazol-4-yl)methylamino]pentanamide is sourced from PubChem (CID 114161780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).