2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C14H24N4O — CID 77094341

IUPAC2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCOC[C@@H]1CCCN1Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C14H24N4O/c1-19-11-13-4-2-6-17(13)10-12-8-14-9-15-5-3-7-18(14)16-12/h8,13,15H,2-7,9-11H2,1H3/t13-/m0/s1
InChIKeyAWPYQTGVHOSDBR-ZDUSSCGKSA-N
MW264.37 g/mol
LogP0.99
Rot. Bonds4

About 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 77094341) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID77094341
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCOC[C@@H]1CCCN1Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C14H24N4O/c1-19-11-13-4-2-6-17(13)10-12-8-14-9-15-5-3-7-18(14)16-12/h8,13,15H,2-7,9-11H2,1H3/t13-/m0/s1
InChIKeyAWPYQTGVHOSDBR-ZDUSSCGKSA-N
XLogP0.99
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 77094341) is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is COC[C@@H]1CCCN1Cc1cc2n(n1)CCCNC2.
What is the InChIKey of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is AWPYQTGVHOSDBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O/c1-19-11-13-4-2-6-17(13)10-12-8-14-9-15-5-3-7-18(14)16-12/h8,13,15H,2-7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 264.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 77094341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).