N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine

C17H23N3 — CID 63079873

IUPACN-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H23N3/c1-3-11-18-16(14-12-19-20(2)13-14)17(9-10-17)15-7-5-4-6-8-15/h4-8,12-13,16,18H,3,9-11H2,1-2H3
InChIKeyOFFFFARJIRKNGB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.19
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine

N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 63079873) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID63079873
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H23N3/c1-3-11-18-16(14-12-19-20(2)13-14)17(9-10-17)15-7-5-4-6-8-15/h4-8,12-13,16,18H,3,9-11H2,1-2H3
InChIKeyOFFFFARJIRKNGB-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63078815
N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 63963923
N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 103130823
[(1-phenylcyclobutyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217295
N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105104750
[(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217294
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 65105153
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[1-(1-phenylcyclopentyl)ethyl]propan-1-amine
CID 63079548
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115816322

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine (CID 63079873) is N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is OFFFFARJIRKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-11-18-16(14-12-19-20(2)13-14)17(9-10-17)15-7-5-4-6-8-15/h4-8,12-13,16,18H,3,9-11H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine?
N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 63079873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).