N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide

C14H26N4O — CID 103571643

IUPACN-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
SMILESCCCn1cc(CNCCC(=O)NCC(C)C)cn1
InChIInChI=1S/C14H26N4O/c1-4-7-18-11-13(10-17-18)9-15-6-5-14(19)16-8-12(2)3/h10-12,15H,4-9H2,1-3H3,(H,16,19)
InChIKeyZSTMKZNDTYKXBL-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.54
Rot. Bonds9

About N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide

N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide (PubChem CID 103571643) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
PubChem CID103571643
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
SMILESCCCn1cc(CNCCC(=O)NCC(C)C)cn1
InChIInChI=1S/C14H26N4O/c1-4-7-18-11-13(10-17-18)9-15-6-5-14(19)16-8-12(2)3/h10-12,15H,4-9H2,1-3H3,(H,16,19)
InChIKeyZSTMKZNDTYKXBL-UHFFFAOYSA-N
XLogP1.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.54
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
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
CID 61349855
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165
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
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide (CID 103571643) is N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide is CCCn1cc(CNCCC(=O)NCC(C)C)cn1.
What is the InChIKey of N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is ZSTMKZNDTYKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-7-18-11-13(10-17-18)9-15-6-5-14(19)16-8-12(2)3/h10-12,15H,4-9H2,1-3H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide?
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 266.39 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 103571643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).