N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

C16H20N6O2 — CID 70707028

IUPACN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)N(CCO)Cc2nccn2C)[nH]n1
InChIInChI=1S/C16H20N6O2/c1-20-6-3-4-14(20)12-10-13(19-18-12)16(24)22(8-9-23)11-15-17-5-7-21(15)2/h3-7,10,23H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyINDSKFYCYCHZAM-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.78
Rot. Bonds6

About N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 70707028) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID70707028
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)N(CCO)Cc2nccn2C)[nH]n1
InChIInChI=1S/C16H20N6O2/c1-20-6-3-4-14(20)12-10-13(19-18-12)16(24)22(8-9-23)11-15-17-5-7-21(15)2/h3-7,10,23H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyINDSKFYCYCHZAM-UHFFFAOYSA-N
XLogP0.78
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-methyl-3-(1-methylpyrrol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 70707028) is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)N(CCO)Cc2nccn2C)[nH]n1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is INDSKFYCYCHZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-20-6-3-4-14(20)12-10-13(19-18-12)16(24)22(8-9-23)11-15-17-5-7-21(15)2/h3-7,10,23H,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70707028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).