N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine

C12H21N3 — CID 42281902

IUPACN-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine
SMILESCn1cc(CNC2CCCCCC2)cn1
InChIInChI=1S/C12H21N3/c1-15-10-11(9-14-15)8-13-12-6-4-2-3-5-7-12/h9-10,12-13H,2-8H2,1H3
InChIKeyFSZXQPRVQRYXFF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine

N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine (PubChem CID 42281902) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine
PubChem CID42281902
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine
SMILESCn1cc(CNC2CCCCCC2)cn1
InChIInChI=1S/C12H21N3/c1-15-10-11(9-14-15)8-13-12-6-4-2-3-5-7-12/h9-10,12-13H,2-8H2,1H3
InChIKeyFSZXQPRVQRYXFF-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine (CID 42281902) is N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine is Cn1cc(CNC2CCCCCC2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine?
The InChIKey is FSZXQPRVQRYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-15-10-11(9-14-15)8-13-12-6-4-2-3-5-7-12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine?
N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine has a molecular weight of 207.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine is sourced from PubChem (CID 42281902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).