(3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine

C14H25N5 — CID 95720235

IUPAC(3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2cc3n(n2)CCCNC3)C1
InChIInChI=1S/C14H25N5/c1-17(2)13-4-7-18(11-13)10-12-8-14-9-15-5-3-6-19(14)16-12/h8,13,15H,3-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyZBKPZGCHKLLZLW-CYBMUJFWSA-N
MW263.39 g/mol
LogP0.51
Rot. Bonds3

About (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine

(3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 95720235) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID95720235
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name(3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2cc3n(n2)CCCNC3)C1
InChIInChI=1S/C14H25N5/c1-17(2)13-4-7-18(11-13)10-12-8-14-9-15-5-3-6-19(14)16-12/h8,13,15H,3-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyZBKPZGCHKLLZLW-CYBMUJFWSA-N
XLogP0.51
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine (CID 95720235) is (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine is CN(C)[C@@H]1CCN(Cc2cc3n(n2)CCCNC3)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is ZBKPZGCHKLLZLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25N5/c1-17(2)13-4-7-18(11-13)10-12-8-14-9-15-5-3-6-19(14)16-12/h8,13,15H,3-7,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 263.39 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 95720235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).