N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide

C17H25N7O — CID 53185782

IUPACN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C17H25N7O/c1-4-24-14(7-8-20-24)17(25)21-13-6-5-9-23(11-13)16-10-15(22(2)3)18-12-19-16/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,21,25)
InChIKeyHPWXWDOGWAEWEW-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.16
Rot. Bonds5

About N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide

N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 53185782) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide
PubChem CID53185782
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C17H25N7O/c1-4-24-14(7-8-20-24)17(25)21-13-6-5-9-23(11-13)16-10-15(22(2)3)18-12-19-16/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,21,25)
InChIKeyHPWXWDOGWAEWEW-UHFFFAOYSA-N
XLogP1.16
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide (CID 53185782) is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC1CCCN(c2cc(N(C)C)ncn2)C1.
What is the InChIKey of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is HPWXWDOGWAEWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-4-24-14(7-8-20-24)17(25)21-13-6-5-9-23(11-13)16-10-15(22(2)3)18-12-19-16/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,21,25).
What are the key properties of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide?
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 53185782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).