N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine

C15H20N4 — CID 117210426

IUPACN'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine
SMILESNCCCNc1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C15H20N4/c16-9-4-10-17-14-11-18-19(15(14)12-7-8-12)13-5-2-1-3-6-13/h1-3,5-6,11-12,17H,4,7-10,16H2
InChIKeyRYQXIBANUDADDE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.51
Rot. Bonds6

About N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine

N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine (PubChem CID 117210426) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine
PubChem CID117210426
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine
SMILESNCCCNc1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C15H20N4/c16-9-4-10-17-14-11-18-19(15(14)12-7-8-12)13-5-2-1-3-6-13/h1-3,5-6,11-12,17H,4,7-10,16H2
InChIKeyRYQXIBANUDADDE-UHFFFAOYSA-N
XLogP2.51
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.51
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

N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210819
N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210662
3-[4-(3-aminopropylamino)-5-cyclohexylpyrazol-1-yl]phenol
CID 117210688
N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine
CID 117210495
N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210831
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
[4-(3-aminopropoxy)piperidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 119663795
N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120505954
N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119498276
N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477727
N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210740
N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
CID 119655718

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine (CID 117210426) is N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine is NCCCNc1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine?
The InChIKey is RYQXIBANUDADDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-9-4-10-17-14-11-18-19(15(14)12-7-8-12)13-5-2-1-3-6-13/h1-3,5-6,11-12,17H,4,7-10,16H2.
What are the key properties of N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine?
N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine is sourced from PubChem (CID 117210426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).