N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine

C11H17N3 — CID 124526704

IUPACN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)n1
InChIInChI=1S/C11H17N3/c1-14-5-4-11(13-14)12-10-7-8-2-3-9(10)6-8/h4-5,8-10H,2-3,6-7H2,1H3,(H,12,13)/t8-,9-,10+/m0/s1
InChIKeyXSNDBKKCQWMPEE-LPEHRKFASA-N
MW191.28 g/mol
LogP2.02
Rot. Bonds2

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

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine (PubChem CID 124526704) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine
PubChem CID124526704
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)n1
InChIInChI=1S/C11H17N3/c1-14-5-4-11(13-14)12-10-7-8-2-3-9(10)6-8/h4-5,8-10H,2-3,6-7H2,1H3,(H,12,13)/t8-,9-,10+/m0/s1
InChIKeyXSNDBKKCQWMPEE-LPEHRKFASA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine
CID 129378975
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine
CID 60810473
2-[(1-methylpyrazol-3-yl)amino]cyclopentan-1-ol
CID 79778963
N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-4-amine
CID 61308966
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine
CID 98119478
N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115923170
2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile
CID 79778379
4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80959753
N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309349
3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 61308040
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 80951871

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine (CID 124526704) is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine is Cn1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)n1.
What is the InChIKey of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine?
The InChIKey is XSNDBKKCQWMPEE-LPEHRKFASA-N. The full InChI is InChI=1S/C11H17N3/c1-14-5-4-11(13-14)12-10-7-8-2-3-9(10)6-8/h4-5,8-10H,2-3,6-7H2,1H3,(H,12,13)/t8-,9-,10+/m0/s1.
What are the key properties of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine?
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine has a molecular weight of 191.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 124526704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).