(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C9H14N4 — CID 175834567

IUPAC(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1n[nH]cc1N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H14N4/c1-7-5-13(6-8(7)2-10-1)9-3-11-12-4-9/h3-4,7-8,10H,1-2,5-6H2,(H,11,12)/t7-,8+
InChIKeyALANFTBDVMALSR-OCAPTIKFSA-N
MW178.24 g/mol
LogP0.07
Rot. Bonds1

About (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 175834567) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID175834567
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1n[nH]cc1N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H14N4/c1-7-5-13(6-8(7)2-10-1)9-3-11-12-4-9/h3-4,7-8,10H,1-2,5-6H2,(H,11,12)/t7-,8+
InChIKeyALANFTBDVMALSR-OCAPTIKFSA-N
XLogP0.07
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine
CID 131154051
5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 130165446
5-(5,6-dichloro-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 22646960
(3aS,6aR)-5-(5,6-dichloro-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 87137939
3-methyl-1-(1H-pyrazol-4-yl)piperidine
CID 131085917
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride
CID 56663664
(3aS)-5-(4-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 175383255
4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole
CID 95566830
(E)-1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1H-pyrazol-4-yl)prop-2-en-1-one
CID 167859865
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
2-[5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol;tetrahydrochloride
CID 155682781
5-(4-ethoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 153372270

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 175834567) is (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is c1n[nH]cc1N1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is ALANFTBDVMALSR-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-5-13(6-8(7)2-10-1)9-3-11-12-4-9/h3-4,7-8,10H,1-2,5-6H2,(H,11,12)/t7-,8+.
What are the key properties of (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 178.24 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 175834567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).