N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine

C17H23N5 — CID 154696583

IUPACN-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
SMILESCc1nn(C)cc1-c1ccc(NC2CC3CNCC3C2)nc1
InChIInChI=1S/C17H23N5/c1-11-16(10-22(2)21-11)12-3-4-17(19-9-12)20-15-5-13-7-18-8-14(13)6-15/h3-4,9-10,13-15,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyPTJPVLVDNOMQMY-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.20
Rot. Bonds3

About N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine

N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 154696583) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound NameN-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
PubChem CID154696583
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
SMILESCc1nn(C)cc1-c1ccc(NC2CC3CNCC3C2)nc1
InChIInChI=1S/C17H23N5/c1-11-16(10-22(2)21-11)12-3-4-17(19-9-12)20-15-5-13-7-18-8-14(13)6-15/h3-4,9-10,13-15,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyPTJPVLVDNOMQMY-UHFFFAOYSA-N
XLogP2.20
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine (CID 154696583) is N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine is Cc1nn(C)cc1-c1ccc(NC2CC3CNCC3C2)nc1.
What is the InChIKey of N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is PTJPVLVDNOMQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-11-16(10-22(2)21-11)12-3-4-17(19-9-12)20-15-5-13-7-18-8-14(13)6-15/h3-4,9-10,13-15,18H,5-8H2,1-2H3,(H,19,20).
What are the key properties of N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 297.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 154696583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).