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

C14H23N3O — CID 129378975

IUPACN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine
SMILESCOCCCn1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)n1
InChIInChI=1S/C14H23N3O/c1-18-8-2-6-17-7-5-14(16-17)15-13-10-11-3-4-12(13)9-11/h5,7,11-13H,2-4,6,8-10H2,1H3,(H,15,16)/t11-,12-,13+/m0/s1
InChIKeyFIAPMQAOAHHSTA-RWMBFGLXSA-N
MW249.36 g/mol
LogP2.52
Rot. Bonds6

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

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine (PubChem CID 129378975) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine
PubChem CID129378975
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine
SMILESCOCCCn1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)n1
InChIInChI=1S/C14H23N3O/c1-18-8-2-6-17-7-5-14(16-17)15-13-10-11-3-4-12(13)9-11/h5,7,11-13H,2-4,6,8-10H2,1H3,(H,15,16)/t11-,12-,13+/m0/s1
InChIKeyFIAPMQAOAHHSTA-RWMBFGLXSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine
CID 124526704
1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine
CID 115690888
(3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one
CID 97061877
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71992095
3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one
CID 119032693
N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61309747
1-(3-methoxypropyl)-3-propan-2-ylpyrazole
CID 129255782
N-[1-(3-methoxypropyl)pyrazol-3-yl]pyrido[2,3-b]pyrazin-6-amine
CID 75374193
N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308815
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
CID 103184144
N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115923170

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine?
The IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine (CID 129378975) is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine.
What is the SMILES notation for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine?
The canonical SMILES for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine is COCCCn1ccc(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-(3-methoxypropyl)pyrazol-3-amine?
The InChIKey is FIAPMQAOAHHSTA-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-8-2-6-17-7-5-14(16-17)15-13-10-11-3-4-12(13)9-11/h5,7,11-13H,2-4,6,8-10H2,1H3,(H,15,16)/t11-,12-,13+/m0/s1.
What are the key properties of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine?
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine has a molecular weight of 249.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(3-methoxypropyl)pyrazol-3-amine is sourced from PubChem (CID 129378975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).