N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine

C16H29N3O2 — CID 114661336

IUPACN-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1C(C)C)C(OC)C1CC1
InChIInChI=1S/C16H29N3O2/c1-6-9-17-14(16(21-5)12-7-8-12)15-13(20-4)10-18-19(15)11(2)3/h10-12,14,16-17H,6-9H2,1-5H3
InChIKeyHUQYRLWLUZKTPH-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.94
Rot. Bonds9

About N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine

N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 114661336) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
PubChem CID114661336
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1C(C)C)C(OC)C1CC1
InChIInChI=1S/C16H29N3O2/c1-6-9-17-14(16(21-5)12-7-8-12)15-13(20-4)10-18-19(15)11(2)3/h10-12,14,16-17H,6-9H2,1-5H3
InChIKeyHUQYRLWLUZKTPH-UHFFFAOYSA-N
XLogP2.94
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114661308
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114661294
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)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105048293
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923904
(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643994
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 114660729
N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720
2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 115837387
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522
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-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine (CID 114661336) is N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine is CCCNC(c1c(OC)cnn1C(C)C)C(OC)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is HUQYRLWLUZKTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-9-17-14(16(21-5)12-7-8-12)15-13(20-4)10-18-19(15)11(2)3/h10-12,14,16-17H,6-9H2,1-5H3.
What are the key properties of N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine?
N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114661336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).