N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C12H19N3 — CID 61309755

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1[nH]ncc1CNC1CC2CCC1C2
InChIInChI=1S/C12H19N3/c1-8-11(7-14-15-8)6-13-12-5-9-2-3-10(12)4-9/h7,9-10,12-13H,2-6H2,1H3,(H,14,15)
InChIKeyMGFNXSYVWHRSQU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.00
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309755) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61309755
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1[nH]ncc1CNC1CC2CCC1C2
InChIInChI=1S/C12H19N3/c1-8-11(7-14-15-8)6-13-12-5-9-2-3-10(12)4-9/h7,9-10,12-13H,2-6H2,1H3,(H,14,15)
InChIKeyMGFNXSYVWHRSQU-UHFFFAOYSA-N
XLogP2.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43663560
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730745
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730463
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747484
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,5-bis(trifluoromethyl)cyclohexan-1-amine
CID 53513472
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
CID 56813955
cis-(1R,2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 93272891
trans-(1S,2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 93272892
trans-(1R,2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 93272893
cis-(1S,2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 93272894
cis-(1R,3S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 93275961
trans-(1S,3S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 93275962

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 61309755) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Cc1[nH]ncc1CNC1CC2CCC1C2.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is MGFNXSYVWHRSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8-11(7-14-15-8)6-13-12-5-9-2-3-10(12)4-9/h7,9-10,12-13H,2-6H2,1H3,(H,14,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).