(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol

C10H19N3O — CID 79253582

IUPAC(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
SMILESCC(N[C@H](CO)C(C)C)c1ccn[nH]1
InChIInChI=1S/C10H19N3O/c1-7(2)10(6-14)12-8(3)9-4-5-11-13-9/h4-5,7-8,10,12,14H,6H2,1-3H3,(H,11,13)/t8?,10-/m1/s1
InChIKeyVQQKECXHCPUUQR-LHIURRSHSA-N
MW197.28 g/mol
LogP1.08
Rot. Bonds5

About (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol

(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol (PubChem CID 79253582) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
PubChem CID79253582
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
SMILESCC(N[C@H](CO)C(C)C)c1ccn[nH]1
InChIInChI=1S/C10H19N3O/c1-7(2)10(6-14)12-8(3)9-4-5-11-13-9/h4-5,7-8,10,12,14H,6H2,1-3H3,(H,11,13)/t8?,10-/m1/s1
InChIKeyVQQKECXHCPUUQR-LHIURRSHSA-N
XLogP1.08
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
CID 107862495
N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine
CID 60972648
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
methyl (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butanoate
CID 61142605
2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol
CID 106157473
ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate
CID 61498518
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81355261
1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881889
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881873
(1S)-1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81366906
(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81388692

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol (CID 79253582) is (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol is CC(N[C@H](CO)C(C)C)c1ccn[nH]1.
What is the InChIKey of (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol?
The InChIKey is VQQKECXHCPUUQR-LHIURRSHSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)10(6-14)12-8(3)9-4-5-11-13-9/h4-5,7-8,10,12,14H,6H2,1-3H3,(H,11,13)/t8?,10-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol?
(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 79253582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).