N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine

C15H25N5O — CID 114660187

IUPACN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncn1C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H25N5O/c1-6-7-17-14(12-8-16-10-19(12)4)15-13(21-5)9-18-20(15)11(2)3/h8-11,14,17H,6-7H2,1-5H3
InChIKeySSZGSHJBVFTOES-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.30
Rot. Bonds7

About N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 114660187) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID114660187
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncn1C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H25N5O/c1-6-7-17-14(12-8-16-10-19(12)4)15-13(21-5)9-18-20(15)11(2)3/h8-11,14,17H,6-7H2,1-5H3
InChIKeySSZGSHJBVFTOES-UHFFFAOYSA-N
XLogP2.30
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114660191
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923904
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 114660168
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 114660729
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105048293
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 114654538
N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 114661336
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 82902048
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 114648090
N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82903206

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine (CID 114660187) is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine is CCCNC(c1cncn1C)c1c(OC)cnn1C(C)C.
What is the InChIKey of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is SSZGSHJBVFTOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-6-7-17-14(12-8-16-10-19(12)4)15-13(21-5)9-18-20(15)11(2)3/h8-11,14,17H,6-7H2,1-5H3.
What are the key properties of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine?
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114660187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).