N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide

C12H20N4O — CID 43596290

IUPACN-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCCCNC1CC1
InChIInChI=1S/C12H20N4O/c17-12(5-10-16-9-2-8-15-16)14-7-1-6-13-11-3-4-11/h2,8-9,11,13H,1,3-7,10H2,(H,14,17)
InChIKeyUIEJGJRKPUKYTI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.53
Rot. Bonds8

About N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide

N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide (PubChem CID 43596290) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
PubChem CID43596290
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCCCNC1CC1
InChIInChI=1S/C12H20N4O/c17-12(5-10-16-9-2-8-15-16)14-7-1-6-13-11-3-4-11/h2,8-9,11,13H,1,3-7,10H2,(H,14,17)
InChIKeyUIEJGJRKPUKYTI-UHFFFAOYSA-N
XLogP0.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.53
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

2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62665464
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627
3-pyrazol-1-yl-N-(2-sulfamoylethyl)propanamide
CID 61130673
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
CID 119709906
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide
CID 65120280

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide (CID 43596290) is N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NCCCNC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is UIEJGJRKPUKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(5-10-16-9-2-8-15-16)14-7-1-6-13-11-3-4-11/h2,8-9,11,13H,1,3-7,10H2,(H,14,17).
What are the key properties of N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide?
N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43596290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).