[5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone

C10H17N5O2 — CID 167918044

IUPAC[5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone
SMILESNCc1cc(C(=O)N2CCNCC(O)C2)n[nH]1
InChIInChI=1S/C10H17N5O2/c11-4-7-3-9(14-13-7)10(17)15-2-1-12-5-8(16)6-15/h3,8,12,16H,1-2,4-6,11H2,(H,13,14)
InChIKeyMUAZLMKGTUCOOM-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.73
Rot. Bonds2

About [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone

[5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone (PubChem CID 167918044) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone
PubChem CID167918044
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name[5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone
SMILESNCc1cc(C(=O)N2CCNCC(O)C2)n[nH]1
InChIInChI=1S/C10H17N5O2/c11-4-7-3-9(14-13-7)10(17)15-2-1-12-5-8(16)6-15/h3,8,12,16H,1-2,4-6,11H2,(H,13,14)
InChIKeyMUAZLMKGTUCOOM-UHFFFAOYSA-N
XLogP-1.73
TPSA107.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone?
The IUPAC name of [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone (CID 167918044) is [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone is NCc1cc(C(=O)N2CCNCC(O)C2)n[nH]1.
What is the InChIKey of [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone?
The InChIKey is MUAZLMKGTUCOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-4-7-3-9(14-13-7)10(17)15-2-1-12-5-8(16)6-15/h3,8,12,16H,1-2,4-6,11H2,(H,13,14).
What are the key properties of [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone?
[5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone has a molecular weight of 239.28 g/mol, XLogP of -1.73, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-1H-pyrazol-3-yl]-(6-hydroxy-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 167918044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).