N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

C13H17N7 — CID 73354147

IUPACN',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1ccn2ncc(-c3cn[nH]c3)c2n1
InChIInChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyPSIMDRXAPBUVNE-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.09
Rot. Bonds5

About N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 73354147) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID73354147
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1ccn2ncc(-c3cn[nH]c3)c2n1
InChIInChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyPSIMDRXAPBUVNE-UHFFFAOYSA-N
XLogP1.09
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1h-Pyrazol-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90105293
4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
CID 73346434
N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73353993
1-(1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}azetidin-3-yl)-1H-pyrazole
CID 53567269
2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 67513372
6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 142464414
4-[(3R)-3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 171389855
8-methyl-3-propyl-N-(1H-pyrazol-5-yl)imidazo[1,5-c]pyrimidin-5-amine
CID 44292433
N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 52104010
4-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 53572113
6-cyclopentyl-1-methyl-N-[2-(1H-pyrrol-1-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56901180
1-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72144505

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (CID 73354147) is N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is CN(C)CCNc1ccn2ncc(-c3cn[nH]c3)c2n1.
What is the InChIKey of N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is PSIMDRXAPBUVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 271.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 73354147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).