1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine

C14H21N5O — CID 97060246

IUPAC1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNCc2ncc[nH]2)cn1
InChIInChI=1S/C14H21N5O/c1-2-19-10-12(8-18-19)14-11(3-6-20-14)7-15-9-13-16-4-5-17-13/h4-5,8,10-11,14-15H,2-3,6-7,9H2,1H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyQOHIVJOZJNBKFQ-RISCZKNCSA-N
MW275.36 g/mol
LogP1.49
Rot. Bonds6

About 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine

1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 97060246) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
PubChem CID97060246
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNCc2ncc[nH]2)cn1
InChIInChI=1S/C14H21N5O/c1-2-19-10-12(8-18-19)14-11(3-6-20-14)7-15-9-13-16-4-5-17-13/h4-5,8,10-11,14-15H,2-3,6-7,9H2,1H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyQOHIVJOZJNBKFQ-RISCZKNCSA-N
XLogP1.49
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine (CID 97060246) is 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine is CCn1cc([C@H]2OCC[C@@H]2CNCc2ncc[nH]2)cn1.
What is the InChIKey of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is QOHIVJOZJNBKFQ-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-19-10-12(8-18-19)14-11(3-6-20-14)7-15-9-13-16-4-5-17-13/h4-5,8,10-11,14-15H,2-3,6-7,9H2,1H3,(H,16,17)/t11-,14+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine?
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 275.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 97060246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).