N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

C14H26N4 — CID 77095112

IUPACN,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN(Cc1ccn[nH]1)CC(C)(C)CN1CCCC1
InChIInChI=1S/C14H26N4/c1-14(2,12-18-8-4-5-9-18)11-17(3)10-13-6-7-15-16-13/h6-7H,4-5,8-12H2,1-3H3,(H,15,16)
InChIKeyXQWMFSVEIBCENG-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.96
Rot. Bonds6

About N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 77095112) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID77095112
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN(Cc1ccn[nH]1)CC(C)(C)CN1CCCC1
InChIInChI=1S/C14H26N4/c1-14(2,12-18-8-4-5-9-18)11-17(3)10-13-6-7-15-16-13/h6-7H,4-5,8-12H2,1-3H3,(H,15,16)
InChIKeyXQWMFSVEIBCENG-UHFFFAOYSA-N
XLogP1.96
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 77095112) is N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is CN(Cc1ccn[nH]1)CC(C)(C)CN1CCCC1.
What is the InChIKey of N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is XQWMFSVEIBCENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,12-18-8-4-5-9-18)11-17(3)10-13-6-7-15-16-13/h6-7H,4-5,8-12H2,1-3H3,(H,15,16).
What are the key properties of N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 77095112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).