5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine

C16H25N5 — CID 71847988

IUPAC5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine
SMILESCCn1ccnc1CNc1cc(C2CCCCCC2)[nH]n1
InChIInChI=1S/C16H25N5/c1-2-21-10-9-17-16(21)12-18-15-11-14(19-20-15)13-7-5-3-4-6-8-13/h9-11,13H,2-8,12H2,1H3,(H2,18,19,20)
InChIKeyAVRRFWYDCDHTJH-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.68
Rot. Bonds5

About 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine

5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine (PubChem CID 71847988) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine
PubChem CID71847988
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine
SMILESCCn1ccnc1CNc1cc(C2CCCCCC2)[nH]n1
InChIInChI=1S/C16H25N5/c1-2-21-10-9-17-16(21)12-18-15-11-14(19-20-15)13-7-5-3-4-6-8-13/h9-11,13H,2-8,12H2,1H3,(H2,18,19,20)
InChIKeyAVRRFWYDCDHTJH-UHFFFAOYSA-N
XLogP3.68
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine (CID 71847988) is 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine is CCn1ccnc1CNc1cc(C2CCCCCC2)[nH]n1.
What is the InChIKey of 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine?
The InChIKey is AVRRFWYDCDHTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-21-10-9-17-16(21)12-18-15-11-14(19-20-15)13-7-5-3-4-6-8-13/h9-11,13H,2-8,12H2,1H3,(H2,18,19,20).
What are the key properties of 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine?
5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine has a molecular weight of 287.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-N-[(1-ethylimidazol-2-yl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 71847988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).