N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine

C13H21N3 — CID 115923170

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-3-11-13(8-16(2)15-11)14-12-7-9-4-5-10(12)6-9/h8-10,12,14H,3-7H2,1-2H3
InChIKeyJCQRMXNFUKFCOB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.58
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine

N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 115923170) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID115923170
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-3-11-13(8-16(2)15-11)14-12-7-9-4-5-10(12)6-9/h8-10,12,14H,3-7H2,1-2H3
InChIKeyJCQRMXNFUKFCOB-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-4-amine
CID 61308966
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine
CID 124526704
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
CID 107462403
tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
CID 99604197
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine
CID 103932631
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 65196991
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 114094602
3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
CID 107462376
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107462778

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine (CID 115923170) is N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is JCQRMXNFUKFCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-11-13(8-16(2)15-11)14-12-7-9-4-5-10(12)6-9/h8-10,12,14H,3-7H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 115923170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).