1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol

C10H19N3O2 — CID 106244935

IUPAC1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)c1ccn[nH]1
InChIInChI=1S/C10H19N3O2/c1-8(10-4-6-12-13-10)11-5-3-9(14)7-15-2/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyBCXZJMXEUFNBTP-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.46
Rot. Bonds7

About 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol

1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol (PubChem CID 106244935) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol
PubChem CID106244935
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)c1ccn[nH]1
InChIInChI=1S/C10H19N3O2/c1-8(10-4-6-12-13-10)11-5-3-9(14)7-15-2/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyBCXZJMXEUFNBTP-UHFFFAOYSA-N
XLogP0.46
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 60973145
3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 60972295
3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 62380024
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913
1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol
CID 103906000
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081
4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol
CID 61237634
4-[1-[(3-hydroxy-4-methoxybutyl)amino]ethyl]benzonitrile
CID 103922135
1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol
CID 21265785
N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine
CID 82710249
4,4,4-trifluoro-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 115516187
N-(2-prop-2-enylsulfanylethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 106425228

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol (CID 106244935) is 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol is COCC(O)CCNC(C)c1ccn[nH]1.
What is the InChIKey of 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol?
The InChIKey is BCXZJMXEUFNBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(10-4-6-12-13-10)11-5-3-9(14)7-15-2/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,12,13).
What are the key properties of 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol?
1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 106244935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).