N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide

C10H12N6O — CID 47466611

IUPACN-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide
SMILESO=C(CCNc1ncccn1)Nc1ccn[nH]1
InChIInChI=1S/C10H12N6O/c17-9(15-8-2-7-14-16-8)3-6-13-10-11-4-1-5-12-10/h1-2,4-5,7H,3,6H2,(H,11,12,13)(H2,14,15,16,17)
InChIKeyZCPZXEQQNLIEAH-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.64
Rot. Bonds5

About N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide

N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 47466611) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide
PubChem CID47466611
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide
SMILESO=C(CCNc1ncccn1)Nc1ccn[nH]1
InChIInChI=1S/C10H12N6O/c17-9(15-8-2-7-14-16-8)3-6-13-10-11-4-1-5-12-10/h1-2,4-5,7H,3,6H2,(H,11,12,13)(H2,14,15,16,17)
InChIKeyZCPZXEQQNLIEAH-UHFFFAOYSA-N
XLogP0.64
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide (CID 47466611) is N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide is O=C(CCNc1ncccn1)Nc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is ZCPZXEQQNLIEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c17-9(15-8-2-7-14-16-8)3-6-13-10-11-4-1-5-12-10/h1-2,4-5,7H,3,6H2,(H,11,12,13)(H2,14,15,16,17).
What are the key properties of N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide?
N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 232.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 47466611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).