(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol

C8H15N3O — CID 93257822

IUPAC(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
SMILESCc1[nH]ncc1CN[C@H](C)CO
InChIInChI=1S/C8H15N3O/c1-6(5-12)9-3-8-4-10-11-7(8)2/h4,6,9,12H,3,5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyRTEGGKHVTAVZQY-ZCFIWIBFSA-N
MW169.23 g/mol
LogP0.19
Rot. Bonds4

About (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol

(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 93257822) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
PubChem CID93257822
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
SMILESCc1[nH]ncc1CN[C@H](C)CO
InChIInChI=1S/C8H15N3O/c1-6(5-12)9-3-8-4-10-11-7(8)2/h4,6,9,12H,3,5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyRTEGGKHVTAVZQY-ZCFIWIBFSA-N
XLogP0.19
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine
CID 115891754
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
ethyl 4-[(1-hydroxypropan-2-ylamino)methyl]-1H-pyrazole-5-carboxylate
CID 115907925
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
(2S)-1-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 93264764
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
1-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663590
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine
CID 115891758
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115891764
1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43687623
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol (CID 93257822) is (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol is Cc1[nH]ncc1CN[C@H](C)CO.
What is the InChIKey of (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is RTEGGKHVTAVZQY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(5-12)9-3-8-4-10-11-7(8)2/h4,6,9,12H,3,5H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol?
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 93257822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).