N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine

C15H28N4 — CID 77096508

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CN(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C15H28N4/c1-15(2,10-18(3)4)11-19(5)9-13-8-14(17-16-13)12-6-7-12/h8,12H,6-7,9-11H2,1-5H3,(H,16,17)
InChIKeyWOJJQKJXFLUTFK-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.31
Rot. Bonds7

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine (PubChem CID 77096508) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine
PubChem CID77096508
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CN(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C15H28N4/c1-15(2,10-18(3)4)11-19(5)9-13-8-14(17-16-13)12-6-7-12/h8,12H,6-7,9-11H2,1-5H3,(H,16,17)
InChIKeyWOJJQKJXFLUTFK-UHFFFAOYSA-N
XLogP2.31
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine (CID 77096508) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine is CN(C)CC(C)(C)CN(C)Cc1cc(C2CC2)n[nH]1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine?
The InChIKey is WOJJQKJXFLUTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-15(2,10-18(3)4)11-19(5)9-13-8-14(17-16-13)12-6-7-12/h8,12H,6-7,9-11H2,1-5H3,(H,16,17).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine is sourced from PubChem (CID 77096508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).