2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C14H20N4 — CID 83207749

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCn1cc(Cn2cc3c(c2)C(N)CCCC3)cn1
InChIInChI=1S/C14H20N4/c1-17-7-11(6-16-17)8-18-9-12-4-2-3-5-14(15)13(12)10-18/h6-7,9-10,14H,2-5,8,15H2,1H3
InChIKeyQKCMQTSHYIYPFP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.00
Rot. Bonds2

About 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83207749) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83207749
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCn1cc(Cn2cc3c(c2)C(N)CCCC3)cn1
InChIInChI=1S/C14H20N4/c1-17-7-11(6-16-17)8-18-9-12-4-2-3-5-14(15)13(12)10-18/h6-7,9-10,14H,2-5,8,15H2,1H3
InChIKeyQKCMQTSHYIYPFP-UHFFFAOYSA-N
XLogP2.00
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208070
2-[(1-methylpyrazol-4-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83209281
2-[(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208787
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213381
2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208015
2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile
CID 83208428
2-(4,4-dimethylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 114209708
2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208236
3-[(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)methyl]pyridine-2-carbonitrile
CID 83208150
2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83207848
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83206154
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213255

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83207749) is 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is Cn1cc(Cn2cc3c(c2)C(N)CCCC3)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is QKCMQTSHYIYPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17-7-11(6-16-17)8-18-9-12-4-2-3-5-14(15)13(12)10-18/h6-7,9-10,14H,2-5,8,15H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 244.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83207749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).