N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine

C16H29N3 — CID 66026910

IUPACN-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCCc1cc(CC2(CNC(C)(C)C)CC2)n(CC)n1
InChIInChI=1S/C16H29N3/c1-6-13-10-14(19(7-2)18-13)11-16(8-9-16)12-17-15(3,4)5/h10,17H,6-9,11-12H2,1-5H3
InChIKeyPYLCHIKAFLOANY-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.18
Rot. Bonds6

About N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine

N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 66026910) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID66026910
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCCc1cc(CC2(CNC(C)(C)C)CC2)n(CC)n1
InChIInChI=1S/C16H29N3/c1-6-13-10-14(19(7-2)18-13)11-16(8-9-16)12-17-15(3,4)5/h10,17H,6-9,11-12H2,1-5H3
InChIKeyPYLCHIKAFLOANY-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (CID 66026910) is N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine is CCc1cc(CC2(CNC(C)(C)C)CC2)n(CC)n1.
What is the InChIKey of N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PYLCHIKAFLOANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-13-10-14(19(7-2)18-13)11-16(8-9-16)12-17-15(3,4)5/h10,17H,6-9,11-12H2,1-5H3.
What are the key properties of N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66026910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).