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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Related Compounds

5-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 18343529
methyl((1H-pyrazol-3-yl)methyl)amine
CID 19614724
1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893202
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
methyl[(1H-pyrazol-3-yl)methyl]amine hydrochloride
CID 138987600
1,4,7-Tris(pyrazol-3-ylmethyl)-1,4,7-triazacyclononane
CID 22999756
bis[(1H-pyrazol-5-yl)methyl]amine
CID 61285482
1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 53506010
3-pyrazol-1-yl-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
CID 53557312
N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine
CID 75438377
N-methyl-N-(1H-pyrazol-3-ylmethyl)-2-pyrrolidin-1-ylbutanamide
CID 90651113
3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile
CID 91661336

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).