N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21N5O4 — CID 146786721

IUPACN-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCCO)ccc1NC(=O)C1=C2N=CC=CN2NC1
InChIInChI=1S/C18H21N5O4/c1-27-15-10-12(17(25)20-7-3-9-24)4-5-14(15)22-18(26)13-11-21-23-8-2-6-19-16(13)23/h2,4-6,8,10,21,24H,3,7,9,11H2,1H3,(H,20,25)(H,22,26)
InChIKeyRVABNJXQTZHTFN-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.38
Rot. Bonds7

About N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146786721) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146786721
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCCO)ccc1NC(=O)C1=C2N=CC=CN2NC1
InChIInChI=1S/C18H21N5O4/c1-27-15-10-12(17(25)20-7-3-9-24)4-5-14(15)22-18(26)13-11-21-23-8-2-6-19-16(13)23/h2,4-6,8,10,21,24H,3,7,9,11H2,1H3,(H,20,25)(H,22,26)
InChIKeyRVABNJXQTZHTFN-UHFFFAOYSA-N
XLogP0.38
TPSA115.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146786721) is N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(C(=O)NCCCO)ccc1NC(=O)C1=C2N=CC=CN2NC1.
What is the InChIKey of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RVABNJXQTZHTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-27-15-10-12(17(25)20-7-3-9-24)4-5-14(15)22-18(26)13-11-21-23-8-2-6-19-16(13)23/h2,4-6,8,10,21,24H,3,7,9,11H2,1H3,(H,20,25)(H,22,26).
What are the key properties of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146786721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).