1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine

C13H19N5 — CID 56715994

IUPAC1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine
SMILESCC(Cn1ccnc1)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C13H19N5/c1-10(8-18-6-5-14-9-18)15-7-13-11-3-2-4-12(11)16-17-13/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyAKJJTBJVEKNXOA-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.27
Rot. Bonds5

About 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine

1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine (PubChem CID 56715994) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine
PubChem CID56715994
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine
SMILESCC(Cn1ccnc1)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C13H19N5/c1-10(8-18-6-5-14-9-18)15-7-13-11-3-2-4-12(11)16-17-13/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyAKJJTBJVEKNXOA-UHFFFAOYSA-N
XLogP1.27
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine (CID 56715994) is 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine is CC(Cn1ccnc1)NCc1n[nH]c2c1CCC2.
What is the InChIKey of 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine?
The InChIKey is AKJJTBJVEKNXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(8-18-6-5-14-9-18)15-7-13-11-3-2-4-12(11)16-17-13/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine?
1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 56715994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).