N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide

C15H22N8O2 — CID 141385671

IUPACN'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide
SMILESCC(=O)NN(C(C)=O)C(C)(NCc1ncccn1)NCc1ccn[nH]1
InChIInChI=1S/C15H22N8O2/c1-11(24)22-23(12(2)25)15(3,18-9-13-5-8-20-21-13)19-10-14-16-6-4-7-17-14/h4-8,18-19H,9-10H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyMPPNUZQGTQCJEC-UHFFFAOYSA-N
MW346.40 g/mol
LogP-0.35
Rot. Bonds7

About N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide

N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide (PubChem CID 141385671) has the molecular formula C15H22N8O2 and a molecular weight of 346.40 g/mol. Its IUPAC name is N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide
PubChem CID141385671
Molecular FormulaC15H22N8O2
Molecular Weight346.40 g/mol
Exact Mass346.19
IUPAC NameN'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide
SMILESCC(=O)NN(C(C)=O)C(C)(NCc1ncccn1)NCc1ccn[nH]1
InChIInChI=1S/C15H22N8O2/c1-11(24)22-23(12(2)25)15(3,18-9-13-5-8-20-21-13)19-10-14-16-6-4-7-17-14/h4-8,18-19H,9-10H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyMPPNUZQGTQCJEC-UHFFFAOYSA-N
XLogP-0.35
TPSA127.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide?
The IUPAC name of N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide (CID 141385671) is N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide.
What is the SMILES notation for N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide?
The canonical SMILES for N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide is CC(=O)NN(C(C)=O)C(C)(NCc1ncccn1)NCc1ccn[nH]1.
What is the InChIKey of N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide?
The InChIKey is MPPNUZQGTQCJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O2/c1-11(24)22-23(12(2)25)15(3,18-9-13-5-8-20-21-13)19-10-14-16-6-4-7-17-14/h4-8,18-19H,9-10H2,1-3H3,(H,20,21)(H,22,24).
What are the key properties of N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide?
N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide has a molecular weight of 346.40 g/mol, XLogP of -0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-[1-(1H-pyrazol-5-ylmethylamino)-1-(pyrimidin-2-ylmethylamino)ethyl]acetohydrazide is sourced from PubChem (CID 141385671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).