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

C14H23N5O — CID 114654538

IUPACN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C14H23N5O/c1-6-15-13(11-7-8-18(4)17-11)14-12(20-5)9-16-19(14)10(2)3/h7-10,13,15H,6H2,1-5H3
InChIKeyKNYHGSNTHLFCMQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.90
Rot. Bonds6

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

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 114654538) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID114654538
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C14H23N5O/c1-6-15-13(11-7-8-18(4)17-11)14-12(20-5)9-16-19(14)10(2)3/h7-10,13,15H,6H2,1-5H3
InChIKeyKNYHGSNTHLFCMQ-UHFFFAOYSA-N
XLogP1.90
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105186864
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114651554
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 114648090
N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114646374
N-[(5-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114652685
N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197664
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105048344
N-[(3-fluoro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114659387
N-[(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105048112
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648733
2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114657606

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine (CID 114654538) is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)c1c(OC)cnn1C(C)C.
What is the InChIKey of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is KNYHGSNTHLFCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-6-15-13(11-7-8-18(4)17-11)14-12(20-5)9-16-19(14)10(2)3/h7-10,13,15H,6H2,1-5H3.
What are the key properties of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 1.90, 6 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)-(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114654538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).