N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine

C14H23N5 — CID 124932351

IUPACN-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
SMILESCC[C@H](C)n1nccc1CNCc1ccn(CC)n1
InChIInChI=1S/C14H23N5/c1-4-12(3)19-14(6-8-16-19)11-15-10-13-7-9-18(5-2)17-13/h6-9,12,15H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyXIUFFCCPNJHAAP-LBPRGKRZSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds7

About N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine

N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine (PubChem CID 124932351) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
PubChem CID124932351
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
SMILESCC[C@H](C)n1nccc1CNCc1ccn(CC)n1
InChIInChI=1S/C14H23N5/c1-4-12(3)19-14(6-8-16-19)11-15-10-13-7-9-18(5-2)17-13/h6-9,12,15H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyXIUFFCCPNJHAAP-LBPRGKRZSA-N
XLogP2.36
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 124932393
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
1-(1-ethylpyrazol-3-yl)-N-[(2-ethylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965982
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
CID 122167258
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024
N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122167059
1-[(2S)-butan-2-yl]-N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932272
1-[(2S)-butan-2-yl]-N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932271
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 124932358
N-[(2-ethylpyrazol-3-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126964762
1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122166991

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine (CID 124932351) is N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine is CC[C@H](C)n1nccc1CNCc1ccn(CC)n1.
What is the InChIKey of N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
The InChIKey is XIUFFCCPNJHAAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-12(3)19-14(6-8-16-19)11-15-10-13-7-9-18(5-2)17-13/h6-9,12,15H,4-5,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 124932351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).