N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine

C18H25N3 — CID 103130823

IUPACN-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25N3/c1-3-13-19-17(16-10-14-21(2)20-16)18(11-7-12-18)15-8-5-4-6-9-15/h4-6,8-10,14,17,19H,3,7,11-13H2,1-2H3
InChIKeyAMDDXLVWQMRGOU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds6

About N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine

N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine (PubChem CID 103130823) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
PubChem CID103130823
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25N3/c1-3-13-19-17(16-10-14-21(2)20-16)18(11-7-12-18)15-8-5-4-6-9-15/h4-6,8-10,14,17,19H,3,7,11-13H2,1-2H3
InChIKeyAMDDXLVWQMRGOU-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1-methylpyrazol-3-yl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 103140070
N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131211
N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131457
N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 63963923
N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine
CID 63079873
N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63078815
(1-methylpyrazol-3-yl)-(1-phenylcyclopentyl)methanamine
CID 103130824
N-[1-(1-phenylcyclopentyl)ethyl]propan-1-amine
CID 63079548
1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 103135439
N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 65105153
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine (CID 103130823) is N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine is CCCNC(c1ccn(C)n1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
The InChIKey is AMDDXLVWQMRGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-13-19-17(16-10-14-21(2)20-16)18(11-7-12-18)15-8-5-4-6-9-15/h4-6,8-10,14,17,19H,3,7,11-13H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 103130823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).